9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene

C80H62N6 — CID 142597628

About 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene

9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene (PubChem CID 142597628) has the molecular formula C80H62N6 and a molecular weight of 1107.42 g/mol. Its IUPAC name is 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene.

Molecular Properties

• Compound Name: 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene
• PubChem CID: 142597628
• Molecular Formula: C80H62N6
• Molecular Weight: 1107.42 g/mol
• Exact Mass: 1106.50
• IUPAC Name: 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene
• SMILES: Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1.Cc1ccccc1C(C)C
• InChI: InChI=1S/C70H48N6.C10H14/c1-45-15-13-21-50(39-45)52-29-33-64-60(41-52)56-23-9-11-25-62(56)75(64)66-43-54(47-35-37-71-38-36-47)27-31-58(66)59-32-28-55(70-73-68(48-17-5-3-6-18-48)72-69(74-70)49-19-7-4-8-20-49)44-67(59)76-63-26-12-10-24-57(63)61-42-53(30-34-65(61)76)51-22-14-16-46(2)40-51;1-8(2)10-7-5-4-6-9(10)3/h3-44H,1-2H3;4-8H,1-3H3
• InChIKey: XGTMETGWTGCGBT-UHFFFAOYSA-N
• XLogP: 20.87
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1107.42
LogP ≤ 5	20.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene?

The IUPAC name of 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene (CID 142597628) is 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene.

What is the SMILES notation for 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene?

The canonical SMILES for 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene is Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1.Cc1ccccc1C(C)C.

What is the InChIKey of 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene?

The InChIKey is XGTMETGWTGCGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N6.C10H14/c1-45-15-13-21-50(39-45)52-29-33-64-60(41-52)56-23-9-11-25-62(56)75(64)66-43-54(47-35-37-71-38-36-47)27-31-58(66)59-32-28-55(70-73-68(48-17-5-3-6-18-48)72-69(74-70)49-19-7-4-8-20-49)44-67(59)76-63-26-12-10-24-57(63)61-42-53(30-34-65(61)76)51-22-14-16-46(2)40-51;1-8(2)10-7-5-4-6-9(10)3/h3-44H,1-2H3;4-8H,1-3H3.

What are the key properties of 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene?

9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene has a molecular weight of 1107.42 g/mol, XLogP of 20.87, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene is sourced from PubChem (CID 142597628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).