5-[2,3,4-trideuterio-5-[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-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

C50H31N7 — CID 176634820

About 5-[2,3,4-trideuterio-5-[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-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

5-[2,3,4-trideuterio-5-[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-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (PubChem CID 176634820) has the molecular formula C50H31N7 and a molecular weight of 746.95 g/mol. Its IUPAC name is 5-[2,3,4-trideuterio-5-[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-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 5-[2,3,4-trideuterio-5-[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-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
• PubChem CID: 176634820
• Molecular Formula: C50H31N7
• Molecular Weight: 746.95 g/mol
• Exact Mass: 746.37
• IUPAC Name: 5-[2,3,4-trideuterio-5-[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-pyrido[3,2-b]indol-5-ylphenyl]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(-n2c3ccccc3c3ncccc32)c1-n1c2ccccc2c2ncccc21
• InChI: InChI=1S/C50H31N7/c1-2-15-32(16-3-1)38-31-39(54-50(53-38)57-40-22-8-4-17-33(40)34-18-5-9-23-41(34)57)35-21-12-26-46(55-42-24-10-6-19-36(42)47-44(55)27-13-29-51-47)49(35)56-43-25-11-7-20-37(43)48-45(56)28-14-30-52-48/h1-31H/i1D,2D,3D,4D,5D,8D,9D,12D,15D,16D,17D,18D,21D,22D,23D,26D,31D
• InChIKey: HOFBSSVLVUBDLZ-AUJRHMKESA-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	746.95
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2,3,4-trideuterio-5-[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-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?

The IUPAC name of 5-[2,3,4-trideuterio-5-[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-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (CID 176634820) is 5-[2,3,4-trideuterio-5-[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-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.

What is the SMILES notation for 5-[2,3,4-trideuterio-5-[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-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?

The canonical SMILES for 5-[2,3,4-trideuterio-5-[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-pyrido[3,2-b]indol-5-ylphenyl]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(-n2c3ccccc3c3ncccc32)c1-n1c2ccccc2c2ncccc21.

What is the InChIKey of 5-[2,3,4-trideuterio-5-[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-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?

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

What are the key properties of 5-[2,3,4-trideuterio-5-[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-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?

5-[2,3,4-trideuterio-5-[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-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole has a molecular weight of 746.95 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 5-[2,3,4-trideuterio-5-[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-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 176634820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).