9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one

C30H20O3 — CID 166440625

IUPAC9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one
SMILESCOc1cccc2c1c(-c1ccccc1)c(-c1ccccc1)c1c(=O)oc3ccccc3c12
InChIInChI=1S/C30H20O3/c1-32-24-18-10-16-22-27-21-15-8-9-17-23(21)33-30(31)29(27)26(20-13-6-3-7-14-20)25(28(22)24)19-11-4-2-5-12-19/h2-18H,1H3
InChIKeyVOMNOAGDBSFDFW-UHFFFAOYSA-N
MW428.49 g/mol
LogP7.44
Rot. Bonds3

About 9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one

9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one (PubChem CID 166440625) has the molecular formula C30H20O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one.

Molecular Properties

Compound Name9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one
PubChem CID166440625
Molecular FormulaC30H20O3
Molecular Weight428.49 g/mol
Exact Mass428.14
IUPAC Name9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one
SMILESCOc1cccc2c1c(-c1ccccc1)c(-c1ccccc1)c1c(=O)oc3ccccc3c12
InChIInChI=1S/C30H20O3/c1-32-24-18-10-16-22-27-21-15-8-9-17-23(21)33-30(31)29(27)26(20-13-6-3-7-14-20)25(28(22)24)19-11-4-2-5-12-19/h2-18H,1H3
InChIKeyVOMNOAGDBSFDFW-UHFFFAOYSA-N
XLogP7.44
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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CID 11439822
3,4,5-trimethoxychromen-2-one
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CID 18732397
2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one
CID 140540725
7,17-diphenyl-4,14-dioxahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),7,9,11(22),12(16),17,19-octaene-3,5,13,15-tetrone
CID 56632747
1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
CID 139586019
8-methoxy-7,12-diphenylbenzo[k]fluoranthene
CID 151612057
2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
(4-acetyloxy-5-methoxy-2-oxochromen-3-yl) benzoate
CID 19929720
4-amino-3-phenylchromen-2-one
CID 617040
3-chloro-5-methoxychromen-2-one
CID 165356903
4-(dimethylamino)-3-phenylchromen-2-one
CID 141378556

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one?
The IUPAC name of 9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one (CID 166440625) is 9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one.
What is the SMILES notation for 9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one?
The canonical SMILES for 9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one is COc1cccc2c1c(-c1ccccc1)c(-c1ccccc1)c1c(=O)oc3ccccc3c12.
What is the InChIKey of 9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one?
The InChIKey is VOMNOAGDBSFDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20O3/c1-32-24-18-10-16-22-27-21-15-8-9-17-23(21)33-30(31)29(27)26(20-13-6-3-7-14-20)25(28(22)24)19-11-4-2-5-12-19/h2-18H,1H3.
What are the key properties of 9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one?
9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one has a molecular weight of 428.49 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one is sourced from PubChem (CID 166440625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).