2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole

C39H25N5 — CID 176634733

About 2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole

2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole (PubChem CID 176634733) has the molecular formula C39H25N5 and a molecular weight of 588.82 g/mol. Its IUPAC name is 2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole
• PubChem CID: 176634733
• Molecular Formula: C39H25N5
• Molecular Weight: 588.82 g/mol
• Exact Mass: 588.37
• IUPAC Name: 2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole
• SMILES: [2H]c1nc2c(c([2H])c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1c([2H])c([2H])c([2H])c([2H])c1-c1nc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c1[2H]
• InChI: InChI=1S/C39H25N5/c1-2-13-26(14-3-1)38-41-32(25-37(42-38)43-33-20-8-4-15-27(33)28-16-5-9-21-34(28)43)31-18-7-11-23-36(31)44-35-22-10-6-17-29(35)30-19-12-24-40-39(30)44/h1-25H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D
• InChIKey: VFDSNRUCKVLGRE-OKCIXFDCSA-N
• XLogP: 9.40
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.82
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole?

The IUPAC name of 2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole (CID 176634733) is 2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole.

What is the SMILES notation for 2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole?

The canonical SMILES for 2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole is [2H]c1nc2c(c([2H])c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1c([2H])c([2H])c([2H])c([2H])c1-c1nc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c1[2H].

What is the InChIKey of 2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole?

The InChIKey is VFDSNRUCKVLGRE-OKCIXFDCSA-N. The full InChI is InChI=1S/C39H25N5/c1-2-13-26(14-3-1)38-41-32(25-37(42-38)43-33-20-8-4-15-27(33)28-16-5-9-21-34(28)43)31-18-7-11-23-36(31)44-35-22-10-6-17-29(35)30-19-12-24-40-39(30)44/h1-25H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D.

What are the key properties of 2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole?

2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole has a molecular weight of 588.82 g/mol, XLogP of 9.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5-tetradeuterio-6-[5-deuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 176634733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).