4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline

C29H28N3OP — CID 102499198

IUPAC4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline
SMILESCNc1ccc(C2=C(c3ccc(NC)cc3)P(=O)(c3ccc(NC)cc3)c3ccccc32)cc1
InChIInChI=1S/C29H28N3OP/c1-30-22-12-8-20(9-13-22)28-26-6-4-5-7-27(26)34(33,25-18-16-24(32-3)17-19-25)29(28)21-10-14-23(31-2)15-11-21/h4-19,30-32H,1-3H3
InChIKeyDXUINOWIFPECNC-UHFFFAOYSA-N
MW465.54 g/mol
LogP6.06
Rot. Bonds6

About 4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline

4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline (PubChem CID 102499198) has the molecular formula C29H28N3OP and a molecular weight of 465.54 g/mol. Its IUPAC name is 4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline
PubChem CID102499198
Molecular FormulaC29H28N3OP
Molecular Weight465.54 g/mol
Exact Mass465.20
IUPAC Name4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline
SMILESCNc1ccc(C2=C(c3ccc(NC)cc3)P(=O)(c3ccc(NC)cc3)c3ccccc32)cc1
InChIInChI=1S/C29H28N3OP/c1-30-22-12-8-20(9-13-22)28-26-6-4-5-7-27(26)34(33,25-18-16-24(32-3)17-19-25)29(28)21-10-14-23(31-2)15-11-21/h4-19,30-32H,1-3H3
InChIKeyDXUINOWIFPECNC-UHFFFAOYSA-N
XLogP6.06
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.54
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S)-1-oxo-1,2,3-triphenylphosphindol-7-yl]-N,N-diphenylaniline
CID 139172661
3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide
CID 122684935
2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide
CID 132600992
1-butyl-2,3-diphenylphosphindole 1-oxide
CID 177389296
2-hydroxy-1-[2-[4-(methylamino)phenyl]phenyl]ethanone
CID 21043155
7,8,9-triphenylacenaphthyleno[1,2-c]phosphole 8-oxide
CID 101475124
1,2,3-triphenylisophosphindole 2-oxide
CID 135051366
CID 157283458
CID 157283458
N-(2-chlorophenyl)-5-oxo-5-phenylbenzo[b]phosphindol-3-amine
CID 89472308
N,4-dimethylaniline;methane
CID 159702289
3,4-bis(4-chlorophenyl)-1-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 71739226
magnesium;N-methylaniline;bromide
CID 173157225

Frequently Asked Questions

What is the IUPAC name of 4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline?
The IUPAC name of 4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline (CID 102499198) is 4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline.
What is the SMILES notation for 4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline?
The canonical SMILES for 4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline is CNc1ccc(C2=C(c3ccc(NC)cc3)P(=O)(c3ccc(NC)cc3)c3ccccc32)cc1.
What is the InChIKey of 4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline?
The InChIKey is DXUINOWIFPECNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N3OP/c1-30-22-12-8-20(9-13-22)28-26-6-4-5-7-27(26)34(33,25-18-16-24(32-3)17-19-25)29(28)21-10-14-23(31-2)15-11-21/h4-19,30-32H,1-3H3.
What are the key properties of 4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline?
4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline has a molecular weight of 465.54 g/mol, XLogP of 6.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline is sourced from PubChem (CID 102499198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).