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

C50H31N7 — CID 176634621

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

6,7,8,9-tetradeuterio-5-[2-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]-6-(6,7,8,9-tetradeuteriopyrido[4,3-b]indol-5-yl)phenyl]pyrido[4,3-b]indole (PubChem CID 176634621) has the molecular formula C50H31N7 and a molecular weight of 751.98 g/mol. Its IUPAC name is 6,7,8,9-tetradeuterio-5-[2-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]-6-(6,7,8,9-tetradeuteriopyrido[4,3-b]indol-5-yl)phenyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 6,7,8,9-tetradeuterio-5-[2-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]-6-(6,7,8,9-tetradeuteriopyrido[4,3-b]indol-5-yl)phenyl]pyrido[4,3-b]indole
• PubChem CID: 176634621
• Molecular Formula: C50H31N7
• Molecular Weight: 751.98 g/mol
• Exact Mass: 751.40
• IUPAC Name: 6,7,8,9-tetradeuterio-5-[2-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]-6-(6,7,8,9-tetradeuteriopyrido[4,3-b]indol-5-yl)phenyl]pyrido[4,3-b]indole
• SMILES: [2H]c1c(-c2cccc(-n3c4ccncc4c4c([2H])c([2H])c([2H])c([2H])c43)c2-n2c3ccncc3c3c([2H])c([2H])c([2H])c([2H])c32)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[2H]
• InChI: InChI=1S/C50H31N7/c1-2-13-32(14-3-1)40-29-41(54-50(53-40)57-44-22-10-4-15-33(44)34-16-5-11-23-45(34)57)37-19-12-24-48(55-42-20-8-6-17-35(42)38-30-51-27-25-46(38)55)49(37)56-43-21-9-7-18-36(43)39-31-52-28-26-47(39)56/h1-31H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,13D,14D,15D,16D,17D,18D,20D,21D,22D,23D,29D
• InChIKey: BOJUPUYAYJWGPP-BNKMTTHRSA-N
• XLogP: 11.89
• TPSA: 66.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.98
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6,7,8,9-tetradeuterio-5-[2-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]-6-(6,7,8,9-tetradeuteriopyrido[4,3-b]indol-5-yl)phenyl]pyrido[4,3-b]indole (CID 176634621) is 6,7,8,9-tetradeuterio-5-[2-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]-6-(6,7,8,9-tetradeuteriopyrido[4,3-b]indol-5-yl)phenyl]pyrido[4,3-b]indole.

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

The canonical SMILES for 6,7,8,9-tetradeuterio-5-[2-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]-6-(6,7,8,9-tetradeuteriopyrido[4,3-b]indol-5-yl)phenyl]pyrido[4,3-b]indole is [2H]c1c(-c2cccc(-n3c4ccncc4c4c([2H])c([2H])c([2H])c([2H])c43)c2-n2c3ccncc3c3c([2H])c([2H])c([2H])c([2H])c32)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[2H].

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

The InChIKey is BOJUPUYAYJWGPP-BNKMTTHRSA-N. The full InChI is InChI=1S/C50H31N7/c1-2-13-32(14-3-1)40-29-41(54-50(53-40)57-44-22-10-4-15-33(44)34-16-5-11-23-45(34)57)37-19-12-24-48(55-42-20-8-6-17-35(42)38-30-51-27-25-46(38)55)49(37)56-43-21-9-7-18-36(43)39-31-52-28-26-47(39)56/h1-31H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,13D,14D,15D,16D,17D,18D,20D,21D,22D,23D,29D.

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

6,7,8,9-tetradeuterio-5-[2-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]-6-(6,7,8,9-tetradeuteriopyrido[4,3-b]indol-5-yl)phenyl]pyrido[4,3-b]indole has a molecular weight of 751.98 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7,8,9-tetradeuterio-5-[2-[5-deuterio-2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-4-yl]-6-(6,7,8,9-tetradeuteriopyrido[4,3-b]indol-5-yl)phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 176634621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).