N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline

C110H76N8 — CID 158952641

About N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline

N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline (PubChem CID 158952641) has the molecular formula C110H76N8 and a molecular weight of 1509.87 g/mol. Its IUPAC name is N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline
• PubChem CID: 158952641
• Molecular Formula: C110H76N8
• Molecular Weight: 1509.87 g/mol
• Exact Mass: 1508.62
• IUPAC Name: N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ncccn5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cc1
• InChI: InChI=1S/C58H40N4.C52H36N4/c1-5-15-41(16-6-1)43-25-32-49(33-26-43)61(50-34-27-44(28-35-50)42-17-7-2-8-18-42)51-36-29-45(30-37-51)48-31-38-56-53(39-48)52-23-13-14-24-55(52)62(56)57-40-54(46-19-9-3-10-20-46)59-58(60-57)47-21-11-4-12-22-47;1-3-10-37(11-4-1)40-20-27-45(28-21-40)55(46-29-22-41(23-30-46)38-12-5-2-6-13-38)47-31-24-42(25-32-47)39-16-18-43(19-17-39)44-26-33-51-49(36-44)48-14-7-8-15-50(48)56(51)52-53-34-9-35-54-52/h1-40H;1-36H
• InChIKey: JLPWFINVWYULHW-UHFFFAOYSA-N
• XLogP: 29.09
• TPSA: 67.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1509.87
LogP ≤ 5	29.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline?

The IUPAC name of N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline (CID 158952641) is N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline.

What is the SMILES notation for N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline?

The canonical SMILES for N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ncccn5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cc1.

What is the InChIKey of N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline?

The InChIKey is JLPWFINVWYULHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N4.C52H36N4/c1-5-15-41(16-6-1)43-25-32-49(33-26-43)61(50-34-27-44(28-35-50)42-17-7-2-8-18-42)51-36-29-45(30-37-51)48-31-38-56-53(39-48)52-23-13-14-24-55(52)62(56)57-40-54(46-19-9-3-10-20-46)59-58(60-57)47-21-11-4-12-22-47;1-3-10-37(11-4-1)40-20-27-45(28-21-40)55(46-29-22-41(23-30-46)38-12-5-2-6-13-38)47-31-24-42(25-32-47)39-16-18-43(19-17-39)44-26-33-51-49(36-44)48-14-7-8-15-50(48)56(51)52-53-34-9-35-54-52/h1-40H;1-36H.

What are the key properties of N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline?

N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline has a molecular weight of 1509.87 g/mol, XLogP of 29.09, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 158952641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).