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

C54H35N3 — CID 170518270

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

1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[3-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]carbazole (PubChem CID 170518270) has the molecular formula C54H35N3 and a molecular weight of 748.03 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[3-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[3-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]carbazole
• PubChem CID: 170518270
• Molecular Formula: C54H35N3
• Molecular Weight: 748.03 g/mol
• Exact Mass: 747.42
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[3-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c([2H])c43)c([2H])c([2H])c([2H])c1n2-c1cccc(-c2cccc(-c3ccccc3)c2)c1
• InChI: InChI=1S/C54H35N3/c1-2-15-36(16-3-1)37-17-12-18-38(33-37)39-19-13-20-40(34-39)56-50-28-11-7-24-46(50)54-51(56)29-14-30-52(54)57-49-27-10-6-23-44(49)45-32-31-41(35-53(45)57)55-47-25-8-4-21-42(47)43-22-5-9-26-48(43)55/h1-35H/i4D,5D,6D,7D,8D,9D,10D,11D,14D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,35D
• InChIKey: BEPQPPWHBJAQJQ-GFLDXFOJSA-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	748.03
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[3-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]carbazole (CID 170518270) is 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[3-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[3-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c([2H])c43)c([2H])c([2H])c([2H])c1n2-c1cccc(-c2cccc(-c3ccccc3)c2)c1.

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

The InChIKey is BEPQPPWHBJAQJQ-GFLDXFOJSA-N. The full InChI is InChI=1S/C54H35N3/c1-2-15-36(16-3-1)37-17-12-18-38(33-37)39-19-13-20-40(34-39)56-50-28-11-7-24-46(50)54-51(56)29-14-30-52(54)57-49-27-10-6-23-44(49)45-32-31-41(35-53(45)57)55-47-25-8-4-21-42(47)43-22-5-9-26-48(43)55/h1-35H/i4D,5D,6D,7D,8D,9D,10D,11D,14D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,35D.

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

1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[3-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]carbazole has a molecular weight of 748.03 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 1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[3-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]carbazole is sourced from PubChem (CID 170518270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).