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

C86H68N6 — CID 151484643

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

3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole (PubChem CID 151484643) has the molecular formula C86H68N6 and a molecular weight of 1185.53 g/mol. Its IUPAC name is 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
• PubChem CID: 151484643
• Molecular Formula: C86H68N6
• Molecular Weight: 1185.53 g/mol
• Exact Mass: 1184.55
• IUPAC Name: 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
• SMILES: Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cc(C)nc(C)c2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1-n1c2ccc(C)cc2c2cc(C)ccc21
• InChI: InChI=1S/C86H68N6/c1-49-21-29-73-63(37-49)64-38-50(2)22-30-74(64)89(73)83-81(61-45-57(9)87-58(10)46-61)84(90-75-31-23-51(3)39-65(75)66-40-52(4)24-32-76(66)90)86(92-79-35-27-55(7)43-69(79)70-44-56(8)28-36-80(70)92)82(85(83)91-77-33-25-53(5)41-67(77)68-42-54(6)26-34-78(68)91)62-47-71(59-17-13-11-14-18-59)88-72(48-62)60-19-15-12-16-20-60/h11-48H,1-10H3
• InChIKey: PNEPWGZXJCHLJN-UHFFFAOYSA-N
• XLogP: 22.62
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1185.53
LogP ≤ 5	22.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole (CID 151484643) is 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole.

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

The canonical SMILES for 3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cc(C)nc(C)c2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1-n1c2ccc(C)cc2c2cc(C)ccc21.

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

The InChIKey is PNEPWGZXJCHLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H68N6/c1-49-21-29-73-63(37-49)64-38-50(2)22-30-74(64)89(73)83-81(61-45-57(9)87-58(10)46-61)84(90-75-31-23-51(3)39-65(75)66-40-52(4)24-32-76(66)90)86(92-79-35-27-55(7)43-69(79)70-44-56(8)28-36-80(70)92)82(85(83)91-77-33-25-53(5)41-67(77)68-42-54(6)26-34-78(68)91)62-47-71(59-17-13-11-14-18-59)88-72(48-62)60-19-15-12-16-20-60/h11-48H,1-10H3.

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

3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole has a molecular weight of 1185.53 g/mol, XLogP of 22.62, 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-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole is sourced from PubChem (CID 151484643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).