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

C72H52N6 — CID 142597636

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

3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-2-ylphenyl]carbazole (PubChem CID 142597636) has the molecular formula C72H52N6 and a molecular weight of 1001.25 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-2-ylphenyl]carbazole.

Molecular Properties

• Compound Name: 3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-2-ylphenyl]carbazole
• PubChem CID: 142597636
• Molecular Formula: C72H52N6
• Molecular Weight: 1001.25 g/mol
• Exact Mass: 1000.43
• IUPAC Name: 3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-2-ylphenyl]carbazole
• SMILES: Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2c(-c3ccccn3)cccc2-n2c3ccccc3c3cc(-c4ccc(C)cc4C)ccc32)c(C)c1
• InChI: InChI=1S/C72H52N6/c1-45-29-34-54(47(3)40-45)51-31-36-65-59(42-51)56-22-11-13-26-63(56)77(65)67-38-33-53(72-75-70(49-18-7-5-8-19-49)74-71(76-72)50-20-9-6-10-21-50)44-61(67)69-58(62-25-15-16-39-73-62)24-17-28-68(69)78-64-27-14-12-23-57(64)60-43-52(32-37-66(60)78)55-35-30-46(2)41-48(55)4/h5-44H,1-4H3
• InChIKey: VIIXZBRWCKZXBK-UHFFFAOYSA-N
• XLogP: 18.36
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1001.25
LogP ≤ 5	18.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-2-ylphenyl]carbazole (CID 142597636) is 3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-2-ylphenyl]carbazole.

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

The canonical SMILES for 3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-2-ylphenyl]carbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2c(-c3ccccn3)cccc2-n2c3ccccc3c3cc(-c4ccc(C)cc4C)ccc32)c(C)c1.

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

The InChIKey is VIIXZBRWCKZXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N6/c1-45-29-34-54(47(3)40-45)51-31-36-65-59(42-51)56-22-11-13-26-63(56)77(65)67-38-33-53(72-75-70(49-18-7-5-8-19-49)74-71(76-72)50-20-9-6-10-21-50)44-61(67)69-58(62-25-15-16-39-73-62)24-17-28-68(69)78-64-27-14-12-23-57(64)60-43-52(32-37-66(60)78)55-35-30-46(2)41-48(55)4/h5-44H,1-4H3.

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

3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-2-ylphenyl]carbazole has a molecular weight of 1001.25 g/mol, XLogP of 18.36, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-2-ylphenyl]carbazole is sourced from PubChem (CID 142597636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).