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Details

Stereochemistry ACHIRAL
Molecular Formula C60H54N16O6
Molecular Weight 1095.1744
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-(1,4-PHENYLENEBIS(N'-(2,5-BIS((4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL)AMINO)CARBONYL)PHENYL)-UREA

SMILES

O=C(NC1=CC=C(NC(=O)NC2=CC(=CC=C2C(=O)NC3=CC=C(C=C3)C4=NCCN4)C(=O)NC5=CC=C(C=C5)C6=NCCN6)C=C1)NC7=CC(=CC=C7C(=O)NC8=CC=C(C=C8)C9=NCCN9)C(=O)NC%10=CC=C(C=C%10)C%11=NCCN%11

InChI

InChIKey=QWHWVPDVXXRGCW-UHFFFAOYSA-N
InChI=1S/C60H54N16O6/c77-55(69-41-11-1-35(2-12-41)51-61-25-26-62-51)39-9-23-47(57(79)71-43-15-5-37(6-16-43)53-65-29-30-66-53)49(33-39)75-59(81)73-45-19-21-46(22-20-45)74-60(82)76-50-34-40(56(78)70-42-13-3-36(4-14-42)52-63-27-28-64-52)10-24-48(50)58(80)72-44-17-7-38(8-18-44)54-67-31-32-68-54/h1-24,33-34H,25-32H2,(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,77)(H,70,78)(H,71,79)(H,72,80)(H2,73,75,81)(H2,74,76,82)

HIDE SMILES / InChI

Molecular Formula C60H54N16O6
Molecular Weight 1095.1744
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 6
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
ZZ2H5C6D5M
Record Status Validated (UNII)
Record Version