4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine

C95H66N8 — CID 159874205

About 4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine

4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 159874205) has the molecular formula C95H66N8 and a molecular weight of 1319.63 g/mol. Its IUPAC name is 4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
• PubChem CID: 159874205
• Molecular Formula: C95H66N8
• Molecular Weight: 1319.63 g/mol
• Exact Mass: 1318.54
• IUPAC Name: 4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
• SMILES: C=Cc1nc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6cccnc6)cc5)n4)cc3)cc2)n(-c2ccccc2)c1C=C.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1
• InChI: InChI=1S/C52H37N5.C43H29N3/c1-3-47-50(4-2)57(46-15-9-6-10-16-46)52(56-47)44-31-23-39(24-32-44)38-19-27-42(28-20-38)49-34-48(41-25-17-37(18-26-41)36-12-7-5-8-13-36)54-51(55-49)43-29-21-40(22-30-43)45-14-11-33-53-35-45;1-2-7-30(8-3-1)32-12-19-35(20-13-32)41-28-42(46-43(45-41)37-23-16-34(17-24-37)40-11-6-26-44-29-40)36-21-14-33(15-22-36)39-25-18-31-9-4-5-10-38(31)27-39/h3-35H,1-2H2;1-29H
• InChIKey: NSRQOEKQYOZYOR-UHFFFAOYSA-N
• XLogP: 24.04
• TPSA: 95.16 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1319.63
LogP ≤ 5	24.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?

The IUPAC name of 4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine (CID 159874205) is 4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine.

What is the SMILES notation for 4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?

The canonical SMILES for 4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine is C=Cc1nc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6cccnc6)cc5)n4)cc3)cc2)n(-c2ccccc2)c1C=C.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1.

What is the InChIKey of 4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?

The InChIKey is NSRQOEKQYOZYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N5.C43H29N3/c1-3-47-50(4-2)57(46-15-9-6-10-16-46)52(56-47)44-31-23-39(24-32-44)38-19-27-42(28-20-38)49-34-48(41-25-17-37(18-26-41)36-12-7-5-8-13-36)54-51(55-49)43-29-21-40(22-30-43)45-14-11-33-53-35-45;1-2-7-30(8-3-1)32-12-19-35(20-13-32)41-28-42(46-43(45-41)37-23-16-34(17-24-37)40-11-6-26-44-29-40)36-21-14-33(15-22-36)39-25-18-31-9-4-5-10-38(31)27-39/h3-35H,1-2H2;1-29H.

What are the key properties of 4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?

4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 1319.63 g/mol, XLogP of 24.04, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 159874205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).