4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one

C28H20N2O — CID 91744769

IUPAC4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one
SMILESO=C1C=C/C(=N\c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C28H20N2O/c31-28-20-19-27(25-13-7-8-14-26(25)28)29-21-15-17-24(18-16-21)30(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-20H/b29-27+
InChIKeyKRCFBRWRTTUEPM-ORIPQNMZSA-N
MW400.48 g/mol
LogP7.03
Rot. Bonds4

About 4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one

4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one (PubChem CID 91744769) has the molecular formula C28H20N2O and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one.

Molecular Properties

Compound Name4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one
PubChem CID91744769
Molecular FormulaC28H20N2O
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC Name4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one
SMILESO=C1C=C/C(=N\c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C28H20N2O/c31-28-20-19-27(25-13-7-8-14-26(25)28)29-21-15-17-24(18-16-21)30(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-20H/b29-27+
InChIKeyKRCFBRWRTTUEPM-ORIPQNMZSA-N
XLogP7.03
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-(diethylamino)phenyl]imino-5-hydroxynaphthalen-1-one
CID 137280947
hydron;naphthalene-1,4-dione
CID 174880921
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
N,N-diphenylaniline;silane
CID 131739129
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-(4-nitrosophenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176915624
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
2-[[4-(N-phenylanilino)phenyl]methylidene]indene-1,3-dione
CID 22982112
N,N-diphenylaniline;ethene
CID 135186601
acetylene;N,N-diphenylaniline
CID 162160270

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one?
The IUPAC name of 4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one (CID 91744769) is 4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one.
What is the SMILES notation for 4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one?
The canonical SMILES for 4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one is O=C1C=C/C(=N\c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one?
The InChIKey is KRCFBRWRTTUEPM-ORIPQNMZSA-N. The full InChI is InChI=1S/C28H20N2O/c31-28-20-19-27(25-13-7-8-14-26(25)28)29-21-15-17-24(18-16-21)30(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-20H/b29-27+.
What are the key properties of 4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one?
4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one has a molecular weight of 400.48 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-phenylanilino)phenyl]iminonaphthalen-1-one is sourced from PubChem (CID 91744769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).