1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

C39H25N5 — CID 177267921

About 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 177267921) has the molecular formula C39H25N5 and a molecular weight of 583.79 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 177267921
• Molecular Formula: C39H25N5
• Molecular Weight: 583.79 g/mol
• Exact Mass: 583.34
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c3c4c([2H])c([2H])c([2H])c([2H])c4n(-c4nc(-c5ccccc5)nc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)n4)c23)c([2H])c1[2H]
• InChI: InChI=1S/C39H25N5/c1-3-14-26(15-4-1)28-21-13-22-32-31-20-9-12-25-35(31)44(36(28)32)39-41-37(27-16-5-2-6-17-27)40-38(42-39)43-33-23-10-7-18-29(33)30-19-8-11-24-34(30)43/h1-25H/i1D,3D,4D,7D,8D,9D,10D,11D,12D,13D,14D,15D,18D,19D,20D,21D,22D,23D,24D,25D
• InChIKey: HARBCLZEGRPKKS-HZAIIRFXSA-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	583.79
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 177267921) is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c3c4c([2H])c([2H])c([2H])c([2H])c4n(-c4nc(-c5ccccc5)nc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)n4)c23)c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?

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

What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?

1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 583.79 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 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 177267921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).