2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine

C43H30N3P — CID 176638533

IUPAC2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCp1c2ccccc2c2cc(-c3cccc(-c4cccc(-c5nc6c(-c7ccccc7)cc(-c7ccccc7)cn6n5)c4)c3)ccc21
InChIInChI=1S/C43H30N3P/c1-47-40-21-9-8-20-37(40)39-26-34(22-23-41(39)47)32-17-10-16-31(24-32)33-18-11-19-35(25-33)42-44-43-38(30-14-6-3-7-15-30)27-36(28-46(43)45-42)29-12-4-2-5-13-29/h2-28H,1H3
InChIKeyJKVZKQITKQKEIC-UHFFFAOYSA-N
MW619.71 g/mol
LogP11.89
Rot. Bonds5

About 2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine

2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 176638533) has the molecular formula C43H30N3P and a molecular weight of 619.71 g/mol. Its IUPAC name is 2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID176638533
Molecular FormulaC43H30N3P
Molecular Weight619.71 g/mol
Exact Mass619.22
IUPAC Name2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCp1c2ccccc2c2cc(-c3cccc(-c4cccc(-c5nc6c(-c7ccccc7)cc(-c7ccccc7)cn6n5)c4)c3)ccc21
InChIInChI=1S/C43H30N3P/c1-47-40-21-9-8-20-37(40)39-26-34(22-23-41(39)47)32-17-10-16-31(24-32)33-18-11-19-35(25-33)42-44-43-38(30-14-6-3-7-15-30)27-36(28-46(43)45-42)29-12-4-2-5-13-29/h2-28H,1H3
InChIKeyJKVZKQITKQKEIC-UHFFFAOYSA-N
XLogP11.89
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.71
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 170064697
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-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 146983620
2-[3-(6-chloronaphthalen-2-yl)phenyl]-8-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 142605509
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
2-(2,5-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 171052590
2-(2,5-diphenylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052606
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052309
2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052347

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine (CID 176638533) is 2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine is Cp1c2ccccc2c2cc(-c3cccc(-c4cccc(-c5nc6c(-c7ccccc7)cc(-c7ccccc7)cn6n5)c4)c3)ccc21.
What is the InChIKey of 2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JKVZKQITKQKEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N3P/c1-47-40-21-9-8-20-37(40)39-26-34(22-23-41(39)47)32-17-10-16-31(24-32)33-18-11-19-35(25-33)42-44-43-38(30-14-6-3-7-15-30)27-36(28-46(43)45-42)29-12-4-2-5-13-29/h2-28H,1H3.
What are the key properties of 2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 619.71 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 176638533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).