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

C70H48N6 — CID 142597624

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

9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-2-ylphenyl]-3-(2-methylphenyl)carbazole (PubChem CID 142597624) has the molecular formula C70H48N6 and a molecular weight of 973.20 g/mol. Its IUPAC name is 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-2-ylphenyl]-3-(2-methylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-2-ylphenyl]-3-(2-methylphenyl)carbazole
• PubChem CID: 142597624
• Molecular Formula: C70H48N6
• Molecular Weight: 973.20 g/mol
• Exact Mass: 972.39
• IUPAC Name: 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-2-ylphenyl]-3-(2-methylphenyl)carbazole
• SMILES: Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccn2)ccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(-c3ccccc3C)ccc21
• InChI: InChI=1S/C70H48N6/c1-45-19-9-11-25-53(45)49-34-38-64-59(41-49)55-27-13-15-30-62(55)75(64)66-43-51(61-29-17-18-40-71-61)32-36-57(66)58-37-33-52(70-73-68(47-21-5-3-6-22-47)72-69(74-70)48-23-7-4-8-24-48)44-67(58)76-63-31-16-14-28-56(63)60-42-50(35-39-65(60)76)54-26-12-10-20-46(54)2/h3-44H,1-2H3
• InChIKey: GXHDLKSQYYRCSE-UHFFFAOYSA-N
• XLogP: 17.75
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	973.20
LogP ≤ 5	17.75
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-(2-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-2-ylphenyl]-3-(2-methylphenyl)carbazole?

The IUPAC name of 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-2-ylphenyl]-3-(2-methylphenyl)carbazole (CID 142597624) is 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-2-ylphenyl]-3-(2-methylphenyl)carbazole.

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

The canonical SMILES for 9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-2-ylphenyl]-3-(2-methylphenyl)carbazole is Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccn2)ccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(-c3ccccc3C)ccc21.

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

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

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

9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-2-ylphenyl]-3-(2-methylphenyl)carbazole has a molecular weight of 973.20 g/mol, XLogP of 17.75, 9 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-(2-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-2-ylphenyl]-3-(2-methylphenyl)carbazole is sourced from PubChem (CID 142597624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).