5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole

C50H32N6 — CID 174179677

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole (PubChem CID 174179677) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole
• PubChem CID: 174179677
• Molecular Formula: C50H32N6
• Molecular Weight: 716.85 g/mol
• Exact Mass: 716.27
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole
• SMILES: c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)cc3)n2)cc1
• InChI: InChI=1S/C50H32N6/c1-4-15-33(16-5-1)41-23-14-24-42(51-41)34-27-29-37(30-28-34)55-43-25-12-10-21-38(43)39-31-32-45-46(47(39)55)40-22-11-13-26-44(40)56(45)50-53-48(35-17-6-2-7-18-35)52-49(54-50)36-19-8-3-9-20-36/h1-32H
• InChIKey: HIZJSZLLGHVNBO-UHFFFAOYSA-N
• XLogP: 12.13
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.85
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole (CID 174179677) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole.

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole is c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)cc3)n2)cc1.

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole?

The InChIKey is HIZJSZLLGHVNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-4-15-33(16-5-1)41-23-14-24-42(51-41)34-27-29-37(30-28-34)55-43-25-12-10-21-38(43)39-31-32-45-46(47(39)55)40-22-11-13-26-44(40)56(45)50-53-48(35-17-6-2-7-18-35)52-49(54-50)36-19-8-3-9-20-36/h1-32H.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 716.85 g/mol, XLogP of 12.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 174179677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).