3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole

C84H64N6 — CID 151600659

About 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole

3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole (PubChem CID 151600659) has the molecular formula C84H64N6 and a molecular weight of 1157.48 g/mol. Its IUPAC name is 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole
• PubChem CID: 151600659
• Molecular Formula: C84H64N6
• Molecular Weight: 1157.48 g/mol
• Exact Mass: 1156.52
• IUPAC Name: 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole
• SMILES: Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2ccncc2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1ccc(-c2ccccc2)nc1-c1ccccc1
• InChI: InChI=1S/C84H64N6/c1-49-19-29-70-61(41-49)62-42-50(2)20-30-71(62)87(70)81-78(58-37-39-85-40-38-58)82(88-72-31-21-51(3)43-63(72)64-44-52(4)22-32-73(64)88)84(90-76-35-25-55(7)47-67(76)68-48-56(8)26-36-77(68)90)83(89-74-33-23-53(5)45-65(74)66-46-54(6)24-34-75(66)89)79(81)60-27-28-69(57-15-11-9-12-16-57)86-80(60)59-17-13-10-14-18-59/h9-48H,1-8H3
• InChIKey: QKKKUACHHMUYQK-UHFFFAOYSA-N
• XLogP: 22.00
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1157.48
LogP ≤ 5	22.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole?

The IUPAC name of 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole (CID 151600659) is 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole.

What is the SMILES notation for 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole?

The canonical SMILES for 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2ccncc2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1ccc(-c2ccccc2)nc1-c1ccccc1.

What is the InChIKey of 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole?

The InChIKey is QKKKUACHHMUYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H64N6/c1-49-19-29-70-61(41-49)62-42-50(2)20-30-71(62)87(70)81-78(58-37-39-85-40-38-58)82(88-72-31-21-51(3)43-63(72)64-44-52(4)22-32-73(64)88)84(90-76-35-25-55(7)47-67(76)68-48-56(8)26-36-77(68)90)83(89-74-33-23-53(5)45-65(74)66-46-54(6)24-34-75(66)89)79(81)60-27-28-69(57-15-11-9-12-16-57)86-80(60)59-17-13-10-14-18-59/h9-48H,1-8H3.

What are the key properties of 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole?

3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole has a molecular weight of 1157.48 g/mol, XLogP of 22.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole is sourced from PubChem (CID 151600659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).