1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole

C54H35N3 — CID 177280501

About 1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole

1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole (PubChem CID 177280501) has the molecular formula C54H35N3 and a molecular weight of 747.02 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
• PubChem CID: 177280501
• Molecular Formula: C54H35N3
• Molecular Weight: 747.02 g/mol
• Exact Mass: 746.41
• IUPAC Name: 1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5c([2H])c([2H])c([2H])c6c7c([2H])c([2H])c([2H])c([2H])c7n(-c7ccccc7-c7ccccc7)c56)c([2H])c([2H])c43)c([2H])c1n2-c1ccccc1
• InChI: InChI=1S/C54H35N3/c1-3-16-36(17-4-1)40-20-7-11-26-48(40)57-51-29-14-9-22-43(51)46-25-15-24-41(54(46)57)37-30-33-52-47(34-37)44-23-10-13-28-50(44)56(52)39-31-32-45-42-21-8-12-27-49(42)55(53(45)35-39)38-18-5-2-6-19-38/h1-35H/i8D,9D,10D,12D,13D,14D,15D,21D,22D,23D,24D,25D,27D,28D,29D,30D,31D,32D,33D,34D,35D
• InChIKey: WIXJWIWJELTCHI-MLYVDKGISA-N
• XLogP: 14.31
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.02
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?

The IUPAC name of 1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole (CID 177280501) is 1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole.

What is the SMILES notation for 1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?

The canonical SMILES for 1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-c5c([2H])c([2H])c([2H])c6c7c([2H])c([2H])c([2H])c([2H])c7n(-c7ccccc7-c7ccccc7)c56)c([2H])c([2H])c43)c([2H])c1n2-c1ccccc1.

What is the InChIKey of 1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?

The InChIKey is WIXJWIWJELTCHI-MLYVDKGISA-N. The full InChI is InChI=1S/C54H35N3/c1-3-16-36(17-4-1)40-20-7-11-26-48(40)57-51-29-14-9-22-43(51)46-25-15-24-41(54(46)57)37-30-33-52-47(34-37)44-23-10-13-28-50(44)56(52)39-31-32-45-42-21-8-12-27-49(42)55(53(45)35-39)38-18-5-2-6-19-38/h1-35H/i8D,9D,10D,12D,13D,14D,15D,21D,22D,23D,24D,25D,27D,28D,29D,30D,31D,32D,33D,34D,35D.

What are the key properties of 1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?

1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole has a molecular weight of 747.02 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7-heptadeuterio-8-[1,2,4,5,6,7,8-heptadeuterio-9-(1,3,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 177280501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).