3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole)

C115H90N8 — CID 159010237

About 3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole)

3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole) (PubChem CID 159010237) has the molecular formula C115H90N8 and a molecular weight of 1584.04 g/mol. Its IUPAC name is 3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole).

Molecular Properties

• Compound Name: 3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole)
• PubChem CID: 159010237
• Molecular Formula: C115H90N8
• Molecular Weight: 1584.04 g/mol
• Exact Mass: 1582.73
• IUPAC Name: 3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole)
• SMILES: c1ccc(-c2cc(-c3cccc(-n4c5ccc(C6CCCCC6)cc5c5cc(C6CCCCC6)ccc54)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C47H44N2.2C34H23N3/c1-5-14-33(15-6-1)38-24-26-46-42(29-38)43-30-39(34-16-7-2-8-17-34)25-27-47(43)49(46)41-23-13-22-37(28-41)40-31-44(35-18-9-3-10-19-35)48-45(32-40)36-20-11-4-12-21-36;2*1-3-12-24(13-4-1)30-23-31(36-34(35-30)25-14-5-2-6-15-25)26-16-11-17-27(22-26)37-32-20-9-7-18-28(32)29-19-8-10-21-33(29)37/h3-4,9-13,18-34H,1-2,5-8,14-17H2;2*1-23H
• InChIKey: JSJWIYOBRVAGIR-UHFFFAOYSA-N
• XLogP: 30.42
• TPSA: 79.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1584.04
LogP ≤ 5	30.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole)?

The IUPAC name of 3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole) (CID 159010237) is 3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole).

What is the SMILES notation for 3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole)?

The canonical SMILES for 3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole) is c1ccc(-c2cc(-c3cccc(-n4c5ccc(C6CCCCC6)cc5c5cc(C6CCCCC6)ccc54)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole)?

The InChIKey is JSJWIYOBRVAGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H44N2.2C34H23N3/c1-5-14-33(15-6-1)38-24-26-46-42(29-38)43-30-39(34-16-7-2-8-17-34)25-27-47(43)49(46)41-23-13-22-37(28-41)40-31-44(35-18-9-3-10-19-35)48-45(32-40)36-20-11-4-12-21-36;2*1-3-12-24(13-4-1)30-23-31(36-34(35-30)25-14-5-2-6-15-25)26-16-11-17-27(22-26)37-32-20-9-7-18-28(32)29-19-8-10-21-33(29)37/h3-4,9-13,18-34H,1-2,5-8,14-17H2;2*1-23H.

What are the key properties of 3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole)?

3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole) has a molecular weight of 1584.04 g/mol, XLogP of 30.42, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole) is sourced from PubChem (CID 159010237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).