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

C43H29N3 — CID 164979806

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

1,2,3,4,5,6,7,8-octadeuterio-9-[3-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole (PubChem CID 164979806) has the molecular formula C43H29N3 and a molecular weight of 609.86 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole
• PubChem CID: 164979806
• Molecular Formula: C43H29N3
• Molecular Weight: 609.86 g/mol
• Exact Mass: 609.37
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c(C)c([2H])c54)c([2H])c([2H])c32)c1
• InChI: InChI=1S/C43H29N3/c1-28-21-23-36-34-15-4-8-19-40(34)46(43(36)25-28)31-22-24-42-37(27-31)35-16-5-9-20-41(35)45(42)30-12-10-11-29(26-30)44-38-17-6-2-13-32(38)33-14-3-7-18-39(33)44/h2-27H,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,27D
• InChIKey: UULNGYXXYZTHSB-STLLETOOSA-N
• XLogP: 11.29
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.86
LogP ≤ 5	11.29
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-[3-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole (CID 164979806) is 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c(C)c([2H])c54)c([2H])c([2H])c32)c1.

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

The InChIKey is UULNGYXXYZTHSB-STLLETOOSA-N. The full InChI is InChI=1S/C43H29N3/c1-28-21-23-36-34-15-4-8-19-40(34)46(43(36)25-28)31-22-24-42-37(27-31)35-16-5-9-20-41(35)45(42)30-12-10-11-29(26-30)44-38-17-6-2-13-32(38)33-14-3-7-18-39(33)44/h2-27H,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,27D.

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

1,2,3,4,5,6,7,8-octadeuterio-9-[3-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole has a molecular weight of 609.86 g/mol, XLogP of 11.29, 3 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-[3-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4,5,6,8-heptadeuterio-7-methylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole is sourced from PubChem (CID 164979806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).