9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C82H52N10 — CID 155463257

About 9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 155463257) has the molecular formula C82H52N10 and a molecular weight of 1177.39 g/mol. Its IUPAC name is 9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
• PubChem CID: 155463257
• Molecular Formula: C82H52N10
• Molecular Weight: 1177.39 g/mol
• Exact Mass: 1176.44
• IUPAC Name: 9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1
• InChI: InChI=1S/C82H52N10/c1-7-24-53(25-8-1)69-52-70(54-26-9-2-10-27-54)84-80(83-69)60-42-45-73(66(49-60)59-36-23-37-63(48-59)91-71-40-21-19-38-64(71)65-39-20-22-41-72(65)91)92-74-46-43-61(81-87-76(55-28-11-3-12-29-55)85-77(88-81)56-30-13-4-14-31-56)50-67(74)68-51-62(44-47-75(68)92)82-89-78(57-32-15-5-16-33-57)86-79(90-82)58-34-17-6-18-35-58/h1-52H
• InChIKey: JAVWRIQUSOMIQJ-UHFFFAOYSA-N
• XLogP: 19.71
• TPSA: 112.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1177.39
LogP ≤ 5	19.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?

The IUPAC name of 9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 155463257) is 9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

What is the SMILES notation for 9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?

The canonical SMILES for 9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1.

What is the InChIKey of 9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?

The InChIKey is JAVWRIQUSOMIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H52N10/c1-7-24-53(25-8-1)69-52-70(54-26-9-2-10-27-54)84-80(83-69)60-42-45-73(66(49-60)59-36-23-37-63(48-59)91-71-40-21-19-38-64(71)65-39-20-22-41-72(65)91)92-74-46-43-61(81-87-76(55-28-11-3-12-29-55)85-77(88-81)56-30-13-4-14-31-56)50-67(74)68-51-62(44-47-75(68)92)82-89-78(57-32-15-5-16-33-57)86-79(90-82)58-34-17-6-18-35-58/h1-52H.

What are the key properties of 9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?

9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 1177.39 g/mol, XLogP of 19.71, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 155463257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).