3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole

C89H67N7 — CID 151654422

About 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole

3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole (PubChem CID 151654422) has the molecular formula C89H67N7 and a molecular weight of 1234.56 g/mol. Its IUPAC name is 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole
• PubChem CID: 151654422
• Molecular Formula: C89H67N7
• Molecular Weight: 1234.56 g/mol
• Exact Mass: 1233.55
• IUPAC Name: 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole
• SMILES: Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cccc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C89H67N7/c1-52-27-35-75-63(43-52)64-44-53(2)28-36-76(64)93(75)85-83(72-26-18-25-71(90-72)60-19-12-9-13-20-60)86(94-77-37-29-54(3)45-65(77)66-46-55(4)30-38-78(66)94)88(96-81-41-33-58(7)49-69(81)70-50-59(8)34-42-82(70)96)87(95-79-39-31-56(5)47-67(79)68-48-57(6)32-40-80(68)95)84(85)74-51-73(61-21-14-10-15-22-61)91-89(92-74)62-23-16-11-17-24-62/h9-51H,1-8H3
• InChIKey: QVEKYUZLOJGENE-UHFFFAOYSA-N
• XLogP: 23.06
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1234.56
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole?

The IUPAC name of 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole (CID 151654422) is 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole.

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

The canonical SMILES for 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cccc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.

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

The InChIKey is QVEKYUZLOJGENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H67N7/c1-52-27-35-75-63(43-52)64-44-53(2)28-36-76(64)93(75)85-83(72-26-18-25-71(90-72)60-19-12-9-13-20-60)86(94-77-37-29-54(3)45-65(77)66-46-55(4)30-38-78(66)94)88(96-81-41-33-58(7)49-69(81)70-50-59(8)34-42-82(70)96)87(95-79-39-31-56(5)47-67(79)68-48-57(6)32-40-80(68)95)84(85)74-51-73(61-21-14-10-15-22-61)91-89(92-74)62-23-16-11-17-24-62/h9-51H,1-8H3.

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

3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole has a molecular weight of 1234.56 g/mol, XLogP of 23.06, 9 rotatable bonds, 0 hydrogen bond donors, and 7 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-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole is sourced from PubChem (CID 151654422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).