4-[3-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[3-[4-[4-(5-hydroxybenzo[b]phosphindol-5-ium-5-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C97H68N5O2P2+ — CID 157126990

About 4-[3-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[3-[4-[4-(5-hydroxybenzo[b]phosphindol-5-ium-5-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

4-[3-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[3-[4-[4-(5-hydroxybenzo[b]phosphindol-5-ium-5-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 157126990) has the molecular formula C97H68N5O2P2+ and a molecular weight of 1397.59 g/mol. Its IUPAC name is 4-[3-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[3-[4-[4-(5-hydroxybenzo[b]phosphindol-5-ium-5-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 4-[3-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[3-[4-[4-(5-hydroxybenzo[b]phosphindol-5-ium-5-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 157126990
• Molecular Formula: C97H68N5O2P2+
• Molecular Weight: 1397.59 g/mol
• Exact Mass: 1396.48
• IUPAC Name: 4-[3-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[3-[4-[4-(5-hydroxybenzo[b]phosphindol-5-ium-5-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccccc5)n4)c3)cc2)cc1.O[P+]1(c2ccc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)cc2)c2ccccc2-c2ccccc21
• InChI: InChI=1S/C52H37N2OP.C45H31N3OP/c55-56(47-20-9-3-10-21-47,48-22-11-4-12-23-48)49-34-32-41(33-35-49)40-24-26-42(27-25-40)45-18-13-19-46(36-45)51-37-50(53-52(54-51)44-16-7-2-8-17-44)43-30-28-39(29-31-43)38-14-5-1-6-15-38;49-50(41-20-9-7-18-39(41)40-19-8-10-21-42(40)50)38-28-26-32(27-29-38)31-22-24-33(25-23-31)36-16-11-17-37(30-36)45-47-43(34-12-3-1-4-13-34)46-44(48-45)35-14-5-2-6-15-35/h1-37H;1-30,49H/q;+1
• InChIKey: PKVSAHJNEMWRLW-UHFFFAOYSA-N
• XLogP: 21.51
• TPSA: 101.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1397.59
LogP ≤ 5	21.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[3-[4-[4-(5-hydroxybenzo[b]phosphindol-5-ium-5-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 4-[3-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[3-[4-[4-(5-hydroxybenzo[b]phosphindol-5-ium-5-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 157126990) is 4-[3-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[3-[4-[4-(5-hydroxybenzo[b]phosphindol-5-ium-5-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 4-[3-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[3-[4-[4-(5-hydroxybenzo[b]phosphindol-5-ium-5-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 4-[3-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[3-[4-[4-(5-hydroxybenzo[b]phosphindol-5-ium-5-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccccc5)n4)c3)cc2)cc1.O[P+]1(c2ccc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)cc2)c2ccccc2-c2ccccc21.

What is the InChIKey of 4-[3-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[3-[4-[4-(5-hydroxybenzo[b]phosphindol-5-ium-5-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is PKVSAHJNEMWRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N2OP.C45H31N3OP/c55-56(47-20-9-3-10-21-47,48-22-11-4-12-23-48)49-34-32-41(33-35-49)40-24-26-42(27-25-40)45-18-13-19-46(36-45)51-37-50(53-52(54-51)44-16-7-2-8-17-44)43-30-28-39(29-31-43)38-14-5-1-6-15-38;49-50(41-20-9-7-18-39(41)40-19-8-10-21-42(40)50)38-28-26-32(27-29-38)31-22-24-33(25-23-31)36-16-11-17-37(30-36)45-47-43(34-12-3-1-4-13-34)46-44(48-45)35-14-5-2-6-15-35/h1-37H;1-30,49H/q;+1.

What are the key properties of 4-[3-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[3-[4-[4-(5-hydroxybenzo[b]phosphindol-5-ium-5-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?

4-[3-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[3-[4-[4-(5-hydroxybenzo[b]phosphindol-5-ium-5-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1397.59 g/mol, XLogP of 21.51, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-[3-[4-[4-(5-hydroxybenzo[b]phosphindol-5-ium-5-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 157126990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).