7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one

C38H22O4 — CID 121242464

IUPAC7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one
SMILESO=c1oc2ccccc2c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5c4c(=O)oc4ccccc45)c3)c12
InChIInChI=1S/C38H22O4/c39-37-35-27(14-8-16-31(35)29-12-4-6-18-33(29)41-37)25-20-24(23-10-2-1-3-11-23)21-26(22-25)28-15-9-17-32-30-13-5-7-19-34(30)42-38(40)36(28)32/h1-22H
InChIKeyLGHZUTQGXRCLNC-UHFFFAOYSA-N
MW542.59 g/mol
LogP9.21
Rot. Bonds3

About 7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one

7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one (PubChem CID 121242464) has the molecular formula C38H22O4 and a molecular weight of 542.59 g/mol. Its IUPAC name is 7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one.

Molecular Properties

Compound Name7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one
PubChem CID121242464
Molecular FormulaC38H22O4
Molecular Weight542.59 g/mol
Exact Mass542.15
IUPAC Name7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one
SMILESO=c1oc2ccccc2c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5c4c(=O)oc4ccccc45)c3)c12
InChIInChI=1S/C38H22O4/c39-37-35-27(14-8-16-31(35)29-12-4-6-18-33(29)41-37)25-20-24(23-10-2-1-3-11-23)21-26(22-25)28-15-9-17-32-30-13-5-7-19-34(30)42-38(40)36(28)32/h1-22H
InChIKeyLGHZUTQGXRCLNC-UHFFFAOYSA-N
XLogP9.21
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.59
LogP ≤ 59.21
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

1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
5-[9-[3-phenyl-5-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]naphtho[2,1-b][1]benzofuran
CID 167419865
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
9-methyl-7-phenylbenzo[c]chromen-6-one
CID 16754507
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 162495161
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran
CID 170363981
6-oxobenzo[c]chromene-7-carboxylic acid
CID 14083219

Frequently Asked Questions

What is the IUPAC name of 7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one?
The IUPAC name of 7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one (CID 121242464) is 7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one.
What is the SMILES notation for 7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one?
The canonical SMILES for 7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one is O=c1oc2ccccc2c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5c4c(=O)oc4ccccc45)c3)c12.
What is the InChIKey of 7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one?
The InChIKey is LGHZUTQGXRCLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22O4/c39-37-35-27(14-8-16-31(35)29-12-4-6-18-33(29)41-37)25-20-24(23-10-2-1-3-11-23)21-26(22-25)28-15-9-17-32-30-13-5-7-19-34(30)42-38(40)36(28)32/h1-22H.
What are the key properties of 7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one?
7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one has a molecular weight of 542.59 g/mol, XLogP of 9.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one is sourced from PubChem (CID 121242464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).