5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide

C38H26NOP — CID 176638542

IUPAC5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide
SMILESCP1(=O)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)nc4)c4ccccc34)ccc21
InChIInChI=1S/C38H26NOP/c1-41(40)35-18-10-9-13-28(35)33-23-26(20-22-36(33)41)37-29-14-5-7-16-31(29)38(32-17-8-6-15-30(32)37)27-19-21-34(39-24-27)25-11-3-2-4-12-25/h2-24H,1H3
InChIKeyBUBIGIRCGUVYDZ-UHFFFAOYSA-N
MW543.61 g/mol
LogP9.31
Rot. Bonds3

About 5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide

5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide (PubChem CID 176638542) has the molecular formula C38H26NOP and a molecular weight of 543.61 g/mol. Its IUPAC name is 5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide.

Molecular Properties

Compound Name5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide
PubChem CID176638542
Molecular FormulaC38H26NOP
Molecular Weight543.61 g/mol
Exact Mass543.18
IUPAC Name5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide
SMILESCP1(=O)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)nc4)c4ccccc34)ccc21
InChIInChI=1S/C38H26NOP/c1-41(40)35-18-10-9-13-28(35)33-23-26(20-22-36(33)41)37-29-14-5-7-16-31(29)38(32-17-8-6-15-30(32)37)27-19-21-34(39-24-27)25-11-3-2-4-12-25/h2-24H,1H3
InChIKeyBUBIGIRCGUVYDZ-UHFFFAOYSA-N
XLogP9.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.61
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', '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
3-[10-(5-methyl-5-oxobenzo[b]phosphindol-2-yl)anthracen-9-yl]benzonitrile
CID 176638539
4-[10-(5-methyl-5-oxobenzo[b]phosphindol-3-yl)anthracen-9-yl]benzonitrile
CID 176638532
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-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-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide
CID 176638517
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
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
2-dibenzothiophen-1-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 142353643
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
CID 122487681

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide?
The IUPAC name of 5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide (CID 176638542) is 5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide.
What is the SMILES notation for 5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide?
The canonical SMILES for 5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide is CP1(=O)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)nc4)c4ccccc34)ccc21.
What is the InChIKey of 5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide?
The InChIKey is BUBIGIRCGUVYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26NOP/c1-41(40)35-18-10-9-13-28(35)33-23-26(20-22-36(33)41)37-29-14-5-7-16-31(29)38(32-17-8-6-15-30(32)37)27-19-21-34(39-24-27)25-11-3-2-4-12-25/h2-24H,1H3.
What are the key properties of 5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide?
5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide has a molecular weight of 543.61 g/mol, XLogP of 9.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]benzo[b]phosphindole 5-oxide is sourced from PubChem (CID 176638542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).