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

C54H35N3 — CID 170659782

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

1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[1,2,5,6,7,8-hexadeuterio-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]carbazole (PubChem CID 170659782) has the molecular formula C54H35N3 and a molecular weight of 747.02 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[1,2,5,6,7,8-hexadeuterio-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[1,2,5,6,7,8-hexadeuterio-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]carbazole
• PubChem CID: 170659782
• Molecular Formula: C54H35N3
• Molecular Weight: 747.02 g/mol
• Exact Mass: 746.41
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[1,2,5,6,7,8-hexadeuterio-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1cc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C54H35N3/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-40(32-30-39)55-47-19-8-6-17-44(47)46-35-41(33-34-51(46)55)56-50-22-11-7-18-45(50)54-52(56)23-12-24-53(54)57-48-20-9-4-15-42(48)43-16-5-10-21-49(43)57/h1-35H/i4D,5D,6D,7D,8D,9D,10D,11D,12D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,33D,34D
• InChIKey: FTBYMRKABTYYPD-JLMVCDDLSA-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 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[1,2,5,6,7,8-hexadeuterio-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]carbazole?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[1,2,5,6,7,8-hexadeuterio-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]carbazole (CID 170659782) is 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[1,2,5,6,7,8-hexadeuterio-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[1,2,5,6,7,8-hexadeuterio-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1cc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c([2H])c([2H])c([2H])c43)c([2H])c([2H])c1n2-c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.

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

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

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

1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[1,2,5,6,7,8-hexadeuterio-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]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 1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[1,2,5,6,7,8-hexadeuterio-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]carbazole is sourced from PubChem (CID 170659782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).