8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one

C40H26O4 — CID 142252672

IUPAC8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one
SMILESCc1ccc2c(ccc3oc(=O)c(-c4cccc(-c5cccc(-c6cc7c(ccc8cc(C)ccc87)oc6=O)c5)c4)cc32)c1
InChIInChI=1S/C40H26O4/c1-23-9-13-31-29(17-23)11-15-37-35(31)21-33(39(41)43-37)27-7-3-5-25(19-27)26-6-4-8-28(20-26)34-22-36-32-14-10-24(2)18-30(32)12-16-38(36)44-40(34)42/h3-22H,1-2H3
InChIKeyZCBZFTMYTBQMKO-UHFFFAOYSA-N
MW570.64 g/mol
LogP9.82
Rot. Bonds3

About 8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one

8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one (PubChem CID 142252672) has the molecular formula C40H26O4 and a molecular weight of 570.64 g/mol. Its IUPAC name is 8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one.

Molecular Properties

Compound Name8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one
PubChem CID142252672
Molecular FormulaC40H26O4
Molecular Weight570.64 g/mol
Exact Mass570.18
IUPAC Name8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one
SMILESCc1ccc2c(ccc3oc(=O)c(-c4cccc(-c5cccc(-c6cc7c(ccc8cc(C)ccc87)oc6=O)c5)c4)cc32)c1
InChIInChI=1S/C40H26O4/c1-23-9-13-31-29(17-23)11-15-37-35(31)21-33(39(41)43-37)27-7-3-5-25(19-27)26-6-4-8-28(20-26)34-22-36-32-14-10-24(2)18-30(32)12-16-38(36)44-40(34)42/h3-22H,1-2H3
InChIKeyZCBZFTMYTBQMKO-UHFFFAOYSA-N
XLogP9.82
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.64
LogP ≤ 59.82
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

2-[4-[3,5-bis(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]-8-methylbenzo[f]chromen-3-one
CID 142252710
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2-(7-methylphenanthren-2-yl)dibenzofuran
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3-(4-methylphenyl)-6-phenylchromen-2-one
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2-(4-anthracen-9-ylphenyl)benzo[f]chromen-3-one
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2-(3,4-dimethoxyphenyl)benzo[f]chromen-3-one
CID 747847
2-(4-hydroxyphenyl)benzo[f]chromen-3-one
CID 102366848
7-methoxy-3-(3-methylphenyl)chromen-2-one
CID 87584032
6-methyl-3-(6-methyl-2-oxochromen-4-yl)chromen-2-one
CID 139087005
2-methyl-6-[3-(6-methylnaphthalen-2-yl)phenyl]naphthalene
CID 58943209
7-(diethylamino)-3-(3-methylphenyl)chromen-2-one
CID 87585315
2,7-dimethylphenanthrene;ethane
CID 91503011

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one?
The IUPAC name of 8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one (CID 142252672) is 8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one.
What is the SMILES notation for 8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one?
The canonical SMILES for 8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one is Cc1ccc2c(ccc3oc(=O)c(-c4cccc(-c5cccc(-c6cc7c(ccc8cc(C)ccc87)oc6=O)c5)c4)cc32)c1.
What is the InChIKey of 8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one?
The InChIKey is ZCBZFTMYTBQMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26O4/c1-23-9-13-31-29(17-23)11-15-37-35(31)21-33(39(41)43-37)27-7-3-5-25(19-27)26-6-4-8-28(20-26)34-22-36-32-14-10-24(2)18-30(32)12-16-38(36)44-40(34)42/h3-22H,1-2H3.
What are the key properties of 8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one?
8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one has a molecular weight of 570.64 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one is sourced from PubChem (CID 142252672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).