3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one

C32H21NO3 — CID 145050011

IUPAC3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one
SMILESC=Cc1c(C=C)c2cc(-c3ccccc3)ccc2n(-c2ccc3c(=O)oc4ccccc4c3c2)c1=O
InChIInChI=1S/C32H21NO3/c1-3-23-24(4-2)31(34)33(29-17-14-21(18-28(23)29)20-10-6-5-7-11-20)22-15-16-26-27(19-22)25-12-8-9-13-30(25)36-32(26)35/h3-19H,1-2H2
InChIKeyFWIHVXJVRXGTLW-UHFFFAOYSA-N
MW467.52 g/mol
LogP7.20
Rot. Bonds4

About 3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one

3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one (PubChem CID 145050011) has the molecular formula C32H21NO3 and a molecular weight of 467.52 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one
PubChem CID145050011
Molecular FormulaC32H21NO3
Molecular Weight467.52 g/mol
Exact Mass467.15
IUPAC Name3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one
SMILESC=Cc1c(C=C)c2cc(-c3ccccc3)ccc2n(-c2ccc3c(=O)oc4ccccc4c3c2)c1=O
InChIInChI=1S/C32H21NO3/c1-3-23-24(4-2)31(34)33(29-17-14-21(18-28(23)29)20-10-6-5-7-11-20)22-15-16-26-27(19-22)25-12-8-9-13-30(25)36-32(26)35/h3-19H,1-2H2
InChIKeyFWIHVXJVRXGTLW-UHFFFAOYSA-N
XLogP7.20
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-(4-carbazol-9-ylphenyl)benzo[c]chromen-6-one;8-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzo[c]chromen-6-one
CID 158033258
2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one
CID 142363203
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one
CID 142363103
2-(9-dibenzofuran-2-ylcarbazol-3-yl)-5-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenanthridin-6-one
CID 90379936
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-carbazol-9-yl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;2-dibenzofuran-2-yl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazol-3-yl]carbazole
CID 159735182
8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one
CID 161016683
N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 90321281

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one?
The IUPAC name of 3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one (CID 145050011) is 3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one.
What is the SMILES notation for 3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one?
The canonical SMILES for 3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one is C=Cc1c(C=C)c2cc(-c3ccccc3)ccc2n(-c2ccc3c(=O)oc4ccccc4c3c2)c1=O.
What is the InChIKey of 3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one?
The InChIKey is FWIHVXJVRXGTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NO3/c1-3-23-24(4-2)31(34)33(29-17-14-21(18-28(23)29)20-10-6-5-7-11-20)22-15-16-26-27(19-22)25-12-8-9-13-30(25)36-32(26)35/h3-19H,1-2H2.
What are the key properties of 3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one?
3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one has a molecular weight of 467.52 g/mol, XLogP of 7.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-1-(6-oxobenzo[c]chromen-9-yl)-6-phenylquinolin-2-one is sourced from PubChem (CID 145050011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).