5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide

C51H35N2OP — CID 176638727

IUPAC5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
SMILESCP1(=O)c2ccccc2-c2cc(-c3ccc4ccccc4c3-c3ccc(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5ccccc5)n4)cc3)ccc21
InChIInChI=1S/C51H35N2OP/c1-55(54)48-22-11-10-21-44(48)45-32-40(28-30-49(45)55)43-29-27-35-15-8-9-20-42(35)50(43)37-25-23-36(24-26-37)46-33-47(53-51(52-46)38-16-6-3-7-17-38)41-19-12-18-39(31-41)34-13-4-2-5-14-34/h2-33H,1H3
InChIKeyYRSQXVDCGZAMTO-UHFFFAOYSA-N
MW722.83 g/mol
LogP12.56
Rot. Bonds6

About 5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide

5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide (PubChem CID 176638727) has the molecular formula C51H35N2OP and a molecular weight of 722.83 g/mol. Its IUPAC name is 5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide.

Molecular Properties

Compound Name5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
PubChem CID176638727
Molecular FormulaC51H35N2OP
Molecular Weight722.83 g/mol
Exact Mass722.25
IUPAC Name5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
SMILESCP1(=O)c2ccccc2-c2cc(-c3ccc4ccccc4c3-c3ccc(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5ccccc5)n4)cc3)ccc21
InChIInChI=1S/C51H35N2OP/c1-55(54)48-22-11-10-21-44(48)45-32-40(28-30-49(45)55)43-29-27-35-15-8-9-20-42(35)50(43)37-25-23-36(24-26-37)46-33-47(53-51(52-46)38-16-6-3-7-17-38)41-19-12-18-39(31-41)34-13-4-2-5-14-34/h2-33H,1H3
InChIKeyYRSQXVDCGZAMTO-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-2-[10-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]anthracen-9-yl]benzo[b]phosphindole 5-oxide
CID 176638739
2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine
CID 155416651
5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
CID 176638608
5-methyl-1-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide
CID 176638732
2-[1-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277443
2-[1-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277694
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168756531
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
2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 129101509
4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168756476
1-[1-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindol-5-ium 5-oxide
CID 176638762

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide?
The IUPAC name of 5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide (CID 176638727) is 5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide.
What is the SMILES notation for 5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide?
The canonical SMILES for 5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide is CP1(=O)c2ccccc2-c2cc(-c3ccc4ccccc4c3-c3ccc(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5ccccc5)n4)cc3)ccc21.
What is the InChIKey of 5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide?
The InChIKey is YRSQXVDCGZAMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N2OP/c1-55(54)48-22-11-10-21-44(48)45-32-40(28-30-49(45)55)43-29-27-35-15-8-9-20-42(35)50(43)37-25-23-36(24-26-37)46-33-47(53-51(52-46)38-16-6-3-7-17-38)41-19-12-18-39(31-41)34-13-4-2-5-14-34/h2-33H,1H3.
What are the key properties of 5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide?
5-methyl-2-[1-[4-[2-phenyl-6-(3-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-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide is sourced from PubChem (CID 176638727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).