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

C39H25N5 — CID 176634562

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

5-[2,3,4,5-tetradeuterio-6-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[3,2-b]indole (PubChem CID 176634562) has the molecular formula C39H25N5 and a molecular weight of 581.77 g/mol. Its IUPAC name is 5-[2,3,4,5-tetradeuterio-6-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 5-[2,3,4,5-tetradeuterio-6-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[3,2-b]indole
• PubChem CID: 176634562
• Molecular Formula: C39H25N5
• Molecular Weight: 581.77 g/mol
• Exact Mass: 581.32
• IUPAC Name: 5-[2,3,4,5-tetradeuterio-6-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[3,2-b]indole
• SMILES: [2H]c1c(-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)nc1-c1c([2H])c([2H])c([2H])c([2H])c1-n1c2ccccc2c2ncccc21
• InChI: InChI=1S/C39H25N5/c1-2-13-26(14-3-1)31-25-32(42-39(41-31)44-33-19-8-4-15-27(33)28-16-5-9-20-34(28)44)29-17-6-10-21-35(29)43-36-22-11-7-18-30(36)38-37(43)23-12-24-40-38/h1-25H/i1D,2D,3D,4D,5D,6D,8D,9D,10D,13D,14D,15D,16D,17D,19D,20D,21D,25D
• InChIKey: UFBDTTAHKYILMD-LVXGRFONSA-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	581.77
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[2,3,4,5-tetradeuterio-6-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[3,2-b]indole (CID 176634562) is 5-[2,3,4,5-tetradeuterio-6-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[3,2-b]indole.

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

The canonical SMILES for 5-[2,3,4,5-tetradeuterio-6-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[3,2-b]indole is [2H]c1c(-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)nc1-c1c([2H])c([2H])c([2H])c([2H])c1-n1c2ccccc2c2ncccc21.

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

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

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

5-[2,3,4,5-tetradeuterio-6-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[3,2-b]indole has a molecular weight of 581.77 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 5-[2,3,4,5-tetradeuterio-6-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 176634562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).