2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine

C50H35N2OP — CID 155273418

IUPAC2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3cc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)ccc3c2)cc1
InChIInChI=1S/C50H35N2OP/c53-54(45-17-9-3-10-18-45,46-19-11-4-12-20-46)47-31-29-37(30-32-47)42-26-28-43-33-41(25-27-44(43)34-42)36-21-23-40(24-22-36)50-51-48(38-13-5-1-6-14-38)35-49(52-50)39-15-7-2-8-16-39/h1-35H
InChIKeyVFFNNVHTYXBLRZ-UHFFFAOYSA-N
MW710.82 g/mol
LogP11.60
Rot. Bonds8

About 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine

2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine (PubChem CID 155273418) has the molecular formula C50H35N2OP and a molecular weight of 710.82 g/mol. Its IUPAC name is 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine
PubChem CID155273418
Molecular FormulaC50H35N2OP
Molecular Weight710.82 g/mol
Exact Mass710.25
IUPAC Name2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3cc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)ccc3c2)cc1
InChIInChI=1S/C50H35N2OP/c53-54(45-17-9-3-10-18-45,46-19-11-4-12-20-46)47-31-29-37(30-32-47)42-26-28-43-33-41(25-27-44(43)34-42)36-21-23-40(24-22-36)50-51-48(38-13-5-1-6-14-38)35-49(52-50)39-15-7-2-8-16-39/h1-35H
InChIKeyVFFNNVHTYXBLRZ-UHFFFAOYSA-N
XLogP11.60
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.82
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 140901998
2-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 140901916
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140901948
2-[3-(6-diphenylphosphorylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-diphenylphosphorylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(4-diphenylphosphorylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159382370
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815
2-[4-[7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine;4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 165013839

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine (CID 155273418) is 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3cc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)ccc3c2)cc1.
What is the InChIKey of 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine?
The InChIKey is VFFNNVHTYXBLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N2OP/c53-54(45-17-9-3-10-18-45,46-19-11-4-12-20-46)47-31-29-37(30-32-47)42-26-28-43-33-41(25-27-44(43)34-42)36-21-23-40(24-22-36)50-51-48(38-13-5-1-6-14-38)35-49(52-50)39-15-7-2-8-16-39/h1-35H.
What are the key properties of 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine?
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine has a molecular weight of 710.82 g/mol, XLogP of 11.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 155273418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).