9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3-methylcarbazol-9-yl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole

C87H58N8 — CID 142508102

About 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3-methylcarbazol-9-yl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole

9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3-methylcarbazol-9-yl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole (PubChem CID 142508102) has the molecular formula C87H58N8 and a molecular weight of 1215.48 g/mol. Its IUPAC name is 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3-methylcarbazol-9-yl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3-methylcarbazol-9-yl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole
• PubChem CID: 142508102
• Molecular Formula: C87H58N8
• Molecular Weight: 1215.48 g/mol
• Exact Mass: 1214.48
• IUPAC Name: 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3-methylcarbazol-9-yl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole
• SMILES: Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3cc(C)ccc32)c1-n1c2ccccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21
• InChI: InChI=1S/C87H58N8/c1-55-43-47-80-67(49-55)64-36-19-22-41-78(64)93(80)83-69(75-53-73(58-27-10-4-11-28-58)89-86(91-75)60-31-14-6-15-32-60)52-70(76-54-74(59-29-12-5-13-30-59)90-87(92-76)61-33-16-7-17-34-61)84(94-79-42-23-20-37-65(79)68-50-56(2)44-48-81(68)94)85(83)95-77-40-21-18-35-63(77)66-46-45-62(51-82(66)95)72-39-24-38-71(88-72)57-25-8-3-9-26-57/h3-54H,1-2H3
• InChIKey: ZAQUUFBZFOLSLF-UHFFFAOYSA-N
• XLogP: 21.91
• TPSA: 79.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1215.48
LogP ≤ 5	21.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3-methylcarbazol-9-yl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole?

The IUPAC name of 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3-methylcarbazol-9-yl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole (CID 142508102) is 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3-methylcarbazol-9-yl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole.

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

The canonical SMILES for 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3-methylcarbazol-9-yl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole is Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccccc3c3cc(C)ccc32)c1-n1c2ccccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21.

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

The InChIKey is ZAQUUFBZFOLSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H58N8/c1-55-43-47-80-67(49-55)64-36-19-22-41-78(64)93(80)83-69(75-53-73(58-27-10-4-11-28-58)89-86(91-75)60-31-14-6-15-32-60)52-70(76-54-74(59-29-12-5-13-30-59)90-87(92-76)61-33-16-7-17-34-61)84(94-79-42-23-20-37-65(79)68-50-56(2)44-48-81(68)94)85(83)95-77-40-21-18-35-63(77)66-46-45-62(51-82(66)95)72-39-24-38-71(88-72)57-25-8-3-9-26-57/h3-54H,1-2H3.

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

9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3-methylcarbazol-9-yl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole has a molecular weight of 1215.48 g/mol, XLogP of 21.91, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3-methylcarbazol-9-yl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 142508102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).