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

C48H31N3 — CID 170660053

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

1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]carbazole (PubChem CID 170660053) has the molecular formula C48H31N3 and a molecular weight of 671.93 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]carbazole
• PubChem CID: 170660053
• Molecular Formula: C48H31N3
• Molecular Weight: 671.93 g/mol
• Exact Mass: 671.39
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c43)c1n2-c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C48H31N3/c1-2-14-32(15-3-1)33-28-30-34(31-29-33)49-41-22-8-6-18-37(41)39-20-13-27-46(47(39)49)51-44-25-11-7-19-38(44)40-21-12-26-45(48(40)51)50-42-23-9-4-16-35(42)36-17-5-10-24-43(36)50/h1-31H/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D
• InChIKey: KPQQKCKIXIUCOW-XSZVNSGESA-N
• XLogP: 12.64
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.93
LogP ≤ 5	12.64
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-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]carbazole?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]carbazole (CID 170660053) is 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c43)c1n2-c1ccc(-c2ccccc2)cc1.

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

The InChIKey is KPQQKCKIXIUCOW-XSZVNSGESA-N. The full InChI is InChI=1S/C48H31N3/c1-2-14-32(15-3-1)33-28-30-34(31-29-33)49-41-22-8-6-18-37(41)39-20-13-27-46(47(39)49)51-44-25-11-7-19-38(44)40-21-12-26-45(48(40)51)50-42-23-9-4-16-35(42)36-17-5-10-24-43(36)50/h1-31H/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D.

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

1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]carbazole has a molecular weight of 671.93 g/mol, XLogP of 12.64, 4 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-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]carbazole is sourced from PubChem (CID 170660053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).