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

C54H35N3 — CID 167377908

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

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 167377908) has the molecular formula C54H35N3 and a molecular weight of 745.01 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
• PubChem CID: 167377908
• Molecular Formula: C54H35N3
• Molecular Weight: 745.01 g/mol
• Exact Mass: 744.40
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c(-c6c([2H])c([2H])c7c(c6[2H])c6c([2H])c([2H])c([2H])c([2H])c6n7-c6ccc(-c7ccccc7)cc6)c([2H])c([2H])c54)ccc32)c([2H])c1[2H]
• InChI: InChI=1S/C54H35N3/c1-3-13-36(14-4-1)37-23-27-41(28-24-37)56-49-20-10-7-17-43(49)46-33-38(25-30-52(46)56)39-26-31-53-47(34-39)44-18-8-12-22-51(44)57(53)42-29-32-54-48(35-42)45-19-9-11-21-50(45)55(54)40-15-5-2-6-16-40/h1-35H/i2D,5D,6D,7D,8D,10D,12D,15D,16D,17D,18D,20D,22D,25D,26D,30D,31D,33D,34D
• InChIKey: ZRQKRBYWLYJAKC-PAVAYPGFSA-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	745.01
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole (CID 167377908) is 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole.

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

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c(-c6c([2H])c([2H])c7c(c6[2H])c6c([2H])c([2H])c([2H])c([2H])c6n7-c6ccc(-c7ccccc7)cc6)c([2H])c([2H])c54)ccc32)c([2H])c1[2H].

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

The InChIKey is ZRQKRBYWLYJAKC-PAVAYPGFSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-13-36(14-4-1)37-23-27-41(28-24-37)56-49-20-10-7-17-43(49)46-33-38(25-30-52(46)56)39-26-31-53-47(34-39)44-18-8-12-22-51(44)57(53)42-29-32-54-48(35-42)45-19-9-11-21-50(45)55(54)40-15-5-2-6-16-40/h1-35H/i2D,5D,6D,7D,8D,10D,12D,15D,16D,17D,18D,20D,22D,25D,26D,30D,31D,33D,34D.

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

1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 745.01 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 1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 167377908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).