10-(2,2-diphenylethenylimino)phenanthren-9-one

C28H19NO — CID 134852503

IUPAC10-(2,2-diphenylethenylimino)phenanthren-9-one
SMILESO=C1/C(=N\C=C(c2ccccc2)c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H19NO/c30-28-25-18-10-8-16-23(25)22-15-7-9-17-24(22)27(28)29-19-26(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-19H/b29-27-
InChIKeyIKYHHWGSSSOCSJ-OHYPFYFLSA-N
MW385.47 g/mol
LogP6.43
Rot. Bonds3

About 10-(2,2-diphenylethenylimino)phenanthren-9-one

10-(2,2-diphenylethenylimino)phenanthren-9-one (PubChem CID 134852503) has the molecular formula C28H19NO and a molecular weight of 385.47 g/mol. Its IUPAC name is 10-(2,2-diphenylethenylimino)phenanthren-9-one.

Molecular Properties

Compound Name10-(2,2-diphenylethenylimino)phenanthren-9-one
PubChem CID134852503
Molecular FormulaC28H19NO
Molecular Weight385.47 g/mol
Exact Mass385.15
IUPAC Name10-(2,2-diphenylethenylimino)phenanthren-9-one
SMILESO=C1/C(=N\C=C(c2ccccc2)c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H19NO/c30-28-25-18-10-8-16-23(25)22-15-7-9-17-24(22)27(28)29-19-26(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-19H/b29-27-
InChIKeyIKYHHWGSSSOCSJ-OHYPFYFLSA-N
XLogP6.43
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydro-1-aza-benzo[de]anthracen-7-one
CID 636991
2-(1-Oxo-4-propan-2-yliminonaphthalen-2-yl)-4-propan-2-yliminonaphthalen-1-one
CID 44465701
10-(Diphenylmethylene)anthracen-9(10H)-one
CID 69586
10-Iminophenanthren-9-one
CID 283892
1-[(E)-3-[4-(cyclohexyliminomethyl)phenyl]prop-2-enoyl]anthracene-9,10-dione
CID 72947873
1-[(E)-3-[4-(benzyliminomethyl)phenyl]prop-2-enoyl]anthracene-9,10-dione
CID 72947874
(10E)-10-(benzhydrylidenehydrazinylidene)phenanthren-9-one
CID 5834467
3-(4-Methylphenyl)-1,1-diphenylisoquinolin-4(1H)-one
CID 13525903
1,1,3-Triphenylisoquinolin-4-one
CID 13525904
10-Iminoanthracen-9(10h)-one
CID 282097
3,4-Dihydro-1-isoquinolinyl(phenyl)methanone
CID 12631416
(Z)-2-{(E)-[(Naphthalen-1-yl)methylidene]hydrazinylidene}-1,2-diphenylethanone
CID 6906610

Frequently Asked Questions

What is the IUPAC name of 10-(2,2-diphenylethenylimino)phenanthren-9-one?
The IUPAC name of 10-(2,2-diphenylethenylimino)phenanthren-9-one (CID 134852503) is 10-(2,2-diphenylethenylimino)phenanthren-9-one.
What is the SMILES notation for 10-(2,2-diphenylethenylimino)phenanthren-9-one?
The canonical SMILES for 10-(2,2-diphenylethenylimino)phenanthren-9-one is O=C1/C(=N\C=C(c2ccccc2)c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 10-(2,2-diphenylethenylimino)phenanthren-9-one?
The InChIKey is IKYHHWGSSSOCSJ-OHYPFYFLSA-N. The full InChI is InChI=1S/C28H19NO/c30-28-25-18-10-8-16-23(25)22-15-7-9-17-24(22)27(28)29-19-26(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-19H/b29-27-.
What are the key properties of 10-(2,2-diphenylethenylimino)phenanthren-9-one?
10-(2,2-diphenylethenylimino)phenanthren-9-one has a molecular weight of 385.47 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,2-diphenylethenylimino)phenanthren-9-one is sourced from PubChem (CID 134852503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).