5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide

C34H24NOP — CID 176638570

IUPAC5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide
SMILESCP1(=O)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5cccnc5)cc4)c4ccccc4c3)ccc21
InChIInChI=1S/C34H24NOP/c1-37(36)33-11-5-4-10-30(33)32-20-25(16-17-34(32)37)28-19-26-7-2-3-9-29(26)31(21-28)24-14-12-23(13-15-24)27-8-6-18-35-22-27/h2-22H,1H3
InChIKeyPRJLRNMEEIMLDF-UHFFFAOYSA-N
MW493.55 g/mol
LogP8.16
Rot. Bonds3

About 5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide

5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide (PubChem CID 176638570) has the molecular formula C34H24NOP and a molecular weight of 493.55 g/mol. Its IUPAC name is 5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide.

Molecular Properties

Compound Name5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide
PubChem CID176638570
Molecular FormulaC34H24NOP
Molecular Weight493.55 g/mol
Exact Mass493.16
IUPAC Name5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide
SMILESCP1(=O)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5cccnc5)cc4)c4ccccc4c3)ccc21
InChIInChI=1S/C34H24NOP/c1-37(36)33-11-5-4-10-30(33)32-20-25(16-17-34(32)37)28-19-26-7-2-3-9-29(26)31(21-28)24-14-12-23(13-15-24)27-8-6-18-35-22-27/h2-22H,1H3
InChIKeyPRJLRNMEEIMLDF-UHFFFAOYSA-N
XLogP8.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.55
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
CID 176638608
3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
CID 118564006
2,4-diphenyl-6-[3-(4-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 118952098
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-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168264
3-[4-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 130295169
2,4-diphenyl-6-[3-(4-pyridin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(3-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 167604835
2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(4-pyridin-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-(3-pyridin-4-ylphenyl)phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 167541800
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
4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine
CID 146382700
5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
CID 176638727
2-[4-[3-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]naphthalen-1-yl]-5-methylbenzo[b]phosphindole 5-oxide
CID 176638737

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide?
The IUPAC name of 5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide (CID 176638570) is 5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide.
What is the SMILES notation for 5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide?
The canonical SMILES for 5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide is CP1(=O)c2ccccc2-c2cc(-c3cc(-c4ccc(-c5cccnc5)cc4)c4ccccc4c3)ccc21.
What is the InChIKey of 5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide?
The InChIKey is PRJLRNMEEIMLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24NOP/c1-37(36)33-11-5-4-10-30(33)32-20-25(16-17-34(32)37)28-19-26-7-2-3-9-29(26)31(21-28)24-14-12-23(13-15-24)27-8-6-18-35-22-27/h2-22H,1H3.
What are the key properties of 5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide?
5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide has a molecular weight of 493.55 g/mol, XLogP of 8.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide is sourced from PubChem (CID 176638570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).