5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide

C51H35N2OP — CID 176638608

IUPAC5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
SMILESCP1(=O)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)cc4)c4ccccc4c3)cc21
InChIInChI=1S/C51H35N2OP/c1-55(54)49-19-11-10-18-44(49)45-29-28-40(32-50(45)55)42-30-41-16-8-9-17-43(41)46(31-42)36-22-26-38(27-23-36)48-33-47(52-51(53-48)39-14-6-3-7-15-39)37-24-20-35(21-25-37)34-12-4-2-5-13-34/h2-33H,1H3
InChIKeyVHXGSTAAPLHDQF-UHFFFAOYSA-N
MW722.83 g/mol
LogP12.56
Rot. Bonds6

About 5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide

5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide (PubChem CID 176638608) has the molecular formula C51H35N2OP and a molecular weight of 722.83 g/mol. Its IUPAC name is 5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide.

Molecular Properties

Compound Name5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
PubChem CID176638608
Molecular FormulaC51H35N2OP
Molecular Weight722.83 g/mol
Exact Mass722.25
IUPAC Name5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
SMILESCP1(=O)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)cc4)c4ccccc4c3)cc21
InChIInChI=1S/C51H35N2OP/c1-55(54)49-19-11-10-18-44(49)45-29-28-40(32-50(45)55)42-30-41-16-8-9-17-43(41)46(31-42)36-22-26-38(27-23-36)48-33-47(52-51(53-48)39-14-6-3-7-15-39)37-24-20-35(21-25-37)34-12-4-2-5-13-34/h2-33H,1H3
InChIKeyVHXGSTAAPLHDQF-UHFFFAOYSA-N
XLogP12.56
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.83
LogP ≤ 512.56
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

5-methyl-3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide
CID 176638734
5-methyl-2-[10-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]anthracen-9-yl]benzo[b]phosphindole 5-oxide
CID 176638739
5-methyl-1-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide
CID 176638732
5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
CID 176638727
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide
CID 176638517
4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168756534
5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide
CID 176638570
4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
CID 168756342
1-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-5-methylbenzo[b]phosphindole 5-oxide
CID 176638574
4-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142488020
4-(4-naphthalen-1-ylphenyl)-6-(7-phenylphenanthren-2-yl)-2-(4-phenylphenyl)pyrimidine
CID 168844850
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146653715

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide?
The IUPAC name of 5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide (CID 176638608) is 5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide.
What is the SMILES notation for 5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide?
The canonical SMILES for 5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide is CP1(=O)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccccc6)n5)cc4)c4ccccc4c3)cc21.
What is the InChIKey of 5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide?
The InChIKey is VHXGSTAAPLHDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N2OP/c1-55(54)49-19-11-10-18-44(49)45-29-28-40(32-50(45)55)42-30-41-16-8-9-17-43(41)46(31-42)36-22-26-38(27-23-36)48-33-47(52-51(53-48)39-14-6-3-7-15-39)37-24-20-35(21-25-37)34-12-4-2-5-13-34/h2-33H,1H3.
What are the key properties of 5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide?
5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide has a molecular weight of 722.83 g/mol, XLogP of 12.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide is sourced from PubChem (CID 176638608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).