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

C47H32N3OP — CID 176638737

IUPAC2-[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
SMILESCP1(=O)c2ccccc2-c2cc(-c3ccc(-c4cccc(-c5nc6c(-c7ccccc7)cc(-c7ccccc7)cn6n5)c4)c4ccccc34)ccc21
InChIInChI=1S/C47H32N3OP/c1-52(51)44-22-11-10-21-41(44)43-28-34(23-26-45(43)52)38-25-24-37(39-19-8-9-20-40(38)39)33-17-12-18-35(27-33)46-48-47-42(32-15-6-3-7-16-32)29-36(30-50(47)49-46)31-13-4-2-5-14-31/h2-30H,1H3
InChIKeyGWDVYWLTNPSYDW-UHFFFAOYSA-N
MW685.77 g/mol
LogP11.14
Rot. Bonds5

About 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

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 (PubChem CID 176638737) has the molecular formula C47H32N3OP and a molecular weight of 685.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID176638737
Molecular FormulaC47H32N3OP
Molecular Weight685.77 g/mol
Exact Mass685.23
IUPAC Name2-[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
SMILESCP1(=O)c2ccccc2-c2cc(-c3ccc(-c4cccc(-c5nc6c(-c7ccccc7)cc(-c7ccccc7)cn6n5)c4)c4ccccc34)ccc21
InChIInChI=1S/C47H32N3OP/c1-52(51)44-22-11-10-21-41(44)43-28-34(23-26-45(43)52)38-25-24-37(39-19-8-9-20-40(38)39)33-17-12-18-35(27-33)46-48-47-42(32-15-6-3-7-16-32)29-36(30-50(47)49-46)31-13-4-2-5-14-31/h2-30H,1H3
InChIKeyGWDVYWLTNPSYDW-UHFFFAOYSA-N
XLogP11.14
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.77
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 176638533
2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 167109598
2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171816987
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-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 170064697
5-methyl-2-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]benzo[b]phosphindole 5-oxide
CID 176638727
5-methyl-1-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-1-yl]benzo[b]phosphindole 5-oxide
CID 176638732
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylbenzo[b]phosphindole 5-oxide
CID 176638517
1-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-5-methylbenzo[b]phosphindole 5-oxide
CID 176638574
5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396983
5-methyl-2-[4-(4-pyridin-3-ylphenyl)naphthalen-2-yl]benzo[b]phosphindole 5-oxide
CID 176638570

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CP1(=O)c2ccccc2-c2cc(-c3ccc(-c4cccc(-c5nc6c(-c7ccccc7)cc(-c7ccccc7)cn6n5)c4)c4ccccc34)ccc21.
What is the InChIKey of 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?
The InChIKey is GWDVYWLTNPSYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N3OP/c1-52(51)44-22-11-10-21-41(44)43-28-34(23-26-45(43)52)38-25-24-37(39-19-8-9-20-40(38)39)33-17-12-18-35(27-33)46-48-47-42(32-15-6-3-7-16-32)29-36(30-50(47)49-46)31-13-4-2-5-14-31/h2-30H,1H3.
What are the key properties of 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?
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 has a molecular weight of 685.77 g/mol, XLogP of 11.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176638737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).