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

C38H24N6 — CID 176634586

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

2,3,4,7,8,9-hexadeuterio-5-[2-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[3,2-b]indole (PubChem CID 176634586) has the molecular formula C38H24N6 and a molecular weight of 583.77 g/mol. Its IUPAC name is 2,3,4,7,8,9-hexadeuterio-5-[2-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 2,3,4,7,8,9-hexadeuterio-5-[2-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[3,2-b]indole
• PubChem CID: 176634586
• Molecular Formula: C38H24N6
• Molecular Weight: 583.77 g/mol
• Exact Mass: 583.33
• IUPAC Name: 2,3,4,7,8,9-hexadeuterio-5-[2-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[3,2-b]indole
• SMILES: [2H]c1cc2c(c([2H])c1[2H])c1nc([2H])c([2H])c([2H])c1n2-c1ccccc1-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)n1
• InChI: InChI=1S/C38H24N6/c1-2-13-25(14-3-1)36-40-37(42-38(41-36)44-30-19-8-4-15-26(30)27-16-5-9-20-31(27)44)29-18-7-11-22-33(29)43-32-21-10-6-17-28(32)35-34(43)23-12-24-39-35/h1-24H/i1D,2D,3D,4D,5D,6D,8D,9D,10D,12D,13D,14D,15D,16D,17D,19D,20D,23D,24D
• InChIKey: JZZFAPZIDLPKJE-LRECCASYSA-N
• XLogP: 8.79
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.77
LogP ≤ 5	8.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2,3,4,7,8,9-hexadeuterio-5-[2-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[3,2-b]indole (CID 176634586) is 2,3,4,7,8,9-hexadeuterio-5-[2-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[3,2-b]indole.

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

The canonical SMILES for 2,3,4,7,8,9-hexadeuterio-5-[2-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[3,2-b]indole is [2H]c1cc2c(c([2H])c1[2H])c1nc([2H])c([2H])c([2H])c1n2-c1ccccc1-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)n1.

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

The InChIKey is JZZFAPZIDLPKJE-LRECCASYSA-N. The full InChI is InChI=1S/C38H24N6/c1-2-13-25(14-3-1)36-40-37(42-38(41-36)44-30-19-8-4-15-26(30)27-16-5-9-20-31(27)44)29-18-7-11-22-33(29)43-32-21-10-6-17-28(32)35-34(43)23-12-24-39-35/h1-24H/i1D,2D,3D,4D,5D,6D,8D,9D,10D,12D,13D,14D,15D,16D,17D,19D,20D,23D,24D.

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

2,3,4,7,8,9-hexadeuterio-5-[2-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[3,2-b]indole has a molecular weight of 583.77 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,7,8,9-hexadeuterio-5-[2-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 176634586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).