2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one

C35H24NO2P — CID 132820896

IUPAC2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one
SMILESO=C1C(P(=O)(c2ccccc2)c2ccccc2)=C(c2ccccc2)c2c(-c3ccccc3)c3ccccc3n21
InChIInChI=1S/C35H24NO2P/c37-35-34(39(38,27-19-9-3-10-20-27)28-21-11-4-12-22-28)32(26-17-7-2-8-18-26)33-31(25-15-5-1-6-16-25)29-23-13-14-24-30(29)36(33)35/h1-24H
InChIKeyLANWYICGRBDJPS-UHFFFAOYSA-N
MW521.56 g/mol
LogP7.74
Rot. Bonds5

About 2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one

2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one (PubChem CID 132820896) has the molecular formula C35H24NO2P and a molecular weight of 521.56 g/mol. Its IUPAC name is 2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one.

Molecular Properties

Compound Name2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one
PubChem CID132820896
Molecular FormulaC35H24NO2P
Molecular Weight521.56 g/mol
Exact Mass521.15
IUPAC Name2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one
SMILESO=C1C(P(=O)(c2ccccc2)c2ccccc2)=C(c2ccccc2)c2c(-c3ccccc3)c3ccccc3n21
InChIInChI=1S/C35H24NO2P/c37-35-34(39(38,27-19-9-3-10-20-27)28-21-11-4-12-22-28)32(26-17-7-2-8-18-26)33-31(25-15-5-1-6-16-25)29-23-13-14-24-30(29)36(33)35/h1-24H
InChIKeyLANWYICGRBDJPS-UHFFFAOYSA-N
XLogP7.74
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.56
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 134552769
1-methyl-2,3-diphenylindole
CID 11426096
1-chloro-2,3-diphenylindole
CID 158405543
2-(2-diphenylphosphorylphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]indole
CID 166447225
3-diphenylphosphoryl-4-phenylquinoline
CID 177449256
10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one
CID 91165192
9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
CID 122597792
7-[3-(4-diphenylphosphorylphenyl)phenyl]indolo[1,2-a]quinoxaline
CID 145179941
3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole
CID 157211543
9-(4-diphenylphosphorylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122516
5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline
CID 118633176

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one?
The IUPAC name of 2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one (CID 132820896) is 2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one.
What is the SMILES notation for 2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one?
The canonical SMILES for 2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one is O=C1C(P(=O)(c2ccccc2)c2ccccc2)=C(c2ccccc2)c2c(-c3ccccc3)c3ccccc3n21.
What is the InChIKey of 2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one?
The InChIKey is LANWYICGRBDJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24NO2P/c37-35-34(39(38,27-19-9-3-10-20-27)28-21-11-4-12-22-28)32(26-17-7-2-8-18-26)33-31(25-15-5-1-6-16-25)29-23-13-14-24-30(29)36(33)35/h1-24H.
What are the key properties of 2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one?
2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one has a molecular weight of 521.56 g/mol, XLogP of 7.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-3,4-diphenylpyrrolo[1,2-a]indol-1-one is sourced from PubChem (CID 132820896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).