9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole

C64H40N10 — CID 118698991

About 9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole

9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole (PubChem CID 118698991) has the molecular formula C64H40N10 and a molecular weight of 949.09 g/mol. Its IUPAC name is 9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
• PubChem CID: 118698991
• Molecular Formula: C64H40N10
• Molecular Weight: 949.09 g/mol
• Exact Mass: 948.34
• IUPAC Name: 9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccncc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccncc8)n7)cc6)ccc54)cc3)n2)cc1
• InChI: InChI=1S/C64H40N10/c1-3-11-41(12-4-1)59-67-61(71-63(69-59)45-31-35-65-36-32-45)43-19-25-49(26-20-43)73-55-17-9-7-15-51(55)53-39-47(23-29-57(53)73)48-24-30-58-54(40-48)52-16-8-10-18-56(52)74(58)50-27-21-44(22-28-50)62-68-60(42-13-5-2-6-14-42)70-64(72-62)46-33-37-66-38-34-46/h1-40H
• InChIKey: UOAXTVNBMPLDMH-UHFFFAOYSA-N
• XLogP: 14.71
• TPSA: 112.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.09
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole (CID 118698991) is 9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole.

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

The canonical SMILES for 9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole is c1ccc(-c2nc(-c3ccncc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccncc8)n7)cc6)ccc54)cc3)n2)cc1.

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

The InChIKey is UOAXTVNBMPLDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N10/c1-3-11-41(12-4-1)59-67-61(71-63(69-59)45-31-35-65-36-32-45)43-19-25-49(26-20-43)73-55-17-9-7-15-51(55)53-39-47(23-29-57(53)73)48-24-30-58-54(40-48)52-16-8-10-18-56(52)74(58)50-27-21-44(22-28-50)62-68-60(42-13-5-2-6-14-42)70-64(72-62)46-33-37-66-38-34-46/h1-40H.

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

9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 949.09 g/mol, XLogP of 14.71, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 118698991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).