2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline

C28H20Cl2NOP — CID 141208846

IUPAC2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline
SMILESO=P(Cl)(Cl)Cc1nc2cccc(-c3ccccc3)c2c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H20Cl2NOP/c29-33(30,32)19-25-26(21-13-6-2-7-14-21)27(22-15-8-3-9-16-22)28-23(17-10-18-24(28)31-25)20-11-4-1-5-12-20/h1-18H,19H2
InChIKeyCJRVIWPSXDIVOO-UHFFFAOYSA-N
MW488.35 g/mol
LogP9.41
Rot. Bonds5

About 2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline

2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline (PubChem CID 141208846) has the molecular formula C28H20Cl2NOP and a molecular weight of 488.35 g/mol. Its IUPAC name is 2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline.

Molecular Properties

Compound Name2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline
PubChem CID141208846
Molecular FormulaC28H20Cl2NOP
Molecular Weight488.35 g/mol
Exact Mass487.07
IUPAC Name2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline
SMILESO=P(Cl)(Cl)Cc1nc2cccc(-c3ccccc3)c2c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H20Cl2NOP/c29-33(30,32)19-25-26(21-13-6-2-7-14-21)27(22-15-8-3-9-16-22)28-23(17-10-18-24(28)31-25)20-11-4-1-5-12-20/h1-18H,19H2
InChIKeyCJRVIWPSXDIVOO-UHFFFAOYSA-N
XLogP9.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.35
LogP ≤ 59.41
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

CID 159108391
CID 159108391
2-chloro-5-phenylquinazolin-4-amine
CID 141301329
2,4,5-triphenylquinazoline
CID 23079071
2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
CID 171052343
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
1-(chloromethoxy)-2,3-diphenylbenzene
CID 89147596
11-oxo-2,3,4,9-tetraphenylisoindolo[2,1-a]benzimidazole-1-carbonyl chloride
CID 54214601
6-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]-10-phenylphenanthridine
CID 146548480
7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene
CID 158890209
9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
CID 123676833
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
4,5,6,7-tetraphenyl-1,10-phenanthroline
CID 165388681

Frequently Asked Questions

What is the IUPAC name of 2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline?
The IUPAC name of 2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline (CID 141208846) is 2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline.
What is the SMILES notation for 2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline?
The canonical SMILES for 2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline is O=P(Cl)(Cl)Cc1nc2cccc(-c3ccccc3)c2c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline?
The InChIKey is CJRVIWPSXDIVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2NOP/c29-33(30,32)19-25-26(21-13-6-2-7-14-21)27(22-15-8-3-9-16-22)28-23(17-10-18-24(28)31-25)20-11-4-1-5-12-20/h1-18H,19H2.
What are the key properties of 2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline?
2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline has a molecular weight of 488.35 g/mol, XLogP of 9.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichlorophosphorylmethyl)-3,4,5-triphenylquinoline is sourced from PubChem (CID 141208846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).