5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole

C60H39N3 — CID 176831265

About 5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole

5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 176831265) has the molecular formula C60H39N3 and a molecular weight of 818.09 g/mol. Its IUPAC name is 5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole
• PubChem CID: 176831265
• Molecular Formula: C60H39N3
• Molecular Weight: 818.09 g/mol
• Exact Mass: 817.41
• IUPAC Name: 5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c(-c5ccccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7-c7ccccc7)c56)c([2H])c([2H])c([2H])c43)c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C60H39N3/c1-3-18-40(19-4-1)41-34-36-43(37-35-41)61-54-31-15-10-25-49(54)58-47(27-17-33-56(58)61)45-23-8-13-29-52(45)62-55-32-16-11-26-50(55)59-57(62)39-38-48-46-24-9-14-30-53(46)63(60(48)59)51-28-12-7-22-44(51)42-20-5-2-6-21-42/h1-39H/i1D,3D,4D,10D,15D,17D,18D,19D,25D,27D,31D,33D,34D,35D,36D,37D
• InChIKey: CAABZNDDEKVTMK-JIYTWDFOSA-N
• XLogP: 15.98
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.09
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole?

The IUPAC name of 5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole (CID 176831265) is 5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole.

What is the SMILES notation for 5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole?

The canonical SMILES for 5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c(-c5ccccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7-c7ccccc7)c56)c([2H])c([2H])c([2H])c43)c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole?

The InChIKey is CAABZNDDEKVTMK-JIYTWDFOSA-N. The full InChI is InChI=1S/C60H39N3/c1-3-18-40(19-4-1)41-34-36-43(37-35-41)61-54-31-15-10-25-49(54)58-47(27-17-33-56(58)61)45-23-8-13-29-52(45)62-55-32-16-11-26-50(55)59-57(62)39-38-48-46-24-9-14-30-53(46)63(60(48)59)51-28-12-7-22-44(51)42-20-5-2-6-21-42/h1-39H/i1D,3D,4D,10D,15D,17D,18D,19D,25D,27D,31D,33D,34D,35D,36D,37D.

What are the key properties of 5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole?

5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 818.09 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[1,2,3,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-4-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 176831265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).