6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one

C27H23NO2 — CID 14873224

IUPAC6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one
SMILESCN(c1ccccc1)c1c2c(oc(=O)c1-c1ccccc1)-c1ccccc1CCC2
InChIInChI=1S/C27H23NO2/c1-28(21-15-6-3-7-16-21)25-23-18-10-14-19-11-8-9-17-22(19)26(23)30-27(29)24(25)20-12-4-2-5-13-20/h2-9,11-13,15-17H,10,14,18H2,1H3
InChIKeyMNKVWZVBTLTLTL-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.23
Rot. Bonds3

About 6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one

6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one (PubChem CID 14873224) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one.

Molecular Properties

Compound Name6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one
PubChem CID14873224
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC Name6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one
SMILESCN(c1ccccc1)c1c2c(oc(=O)c1-c1ccccc1)-c1ccccc1CCC2
InChIInChI=1S/C27H23NO2/c1-28(21-15-6-3-7-16-21)25-23-18-10-14-19-11-8-9-17-22(19)26(23)30-27(29)24(25)20-12-4-2-5-13-20/h2-9,11-13,15-17H,10,14,18H2,1H3
InChIKeyMNKVWZVBTLTLTL-UHFFFAOYSA-N
XLogP6.23
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl-4'-[(N-phenylpentanamido)methyl]biphenyl-2-carboxylate
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3-[4-(Dimethylamino)phenyl]isocoumarin
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methyl 2-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
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CID 45483875
tert-butyl 2-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 45483887
ethyl 2-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 45483891
1'-phenylspiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride
CID 49860423
2-[4-[(N-pentylanilino)methyl]phenyl]benzoic acid
CID 162644476
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CID 10017165

Frequently Asked Questions

What is the IUPAC name of 6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one?
The IUPAC name of 6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one (CID 14873224) is 6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one.
What is the SMILES notation for 6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one?
The canonical SMILES for 6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one is CN(c1ccccc1)c1c2c(oc(=O)c1-c1ccccc1)-c1ccccc1CCC2.
What is the InChIKey of 6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one?
The InChIKey is MNKVWZVBTLTLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2/c1-28(21-15-6-3-7-16-21)25-23-18-10-14-19-11-8-9-17-22(19)26(23)30-27(29)24(25)20-12-4-2-5-13-20/h2-9,11-13,15-17H,10,14,18H2,1H3.
What are the key properties of 6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one?
6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one has a molecular weight of 393.49 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-methylanilino)-5-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaen-4-one is sourced from PubChem (CID 14873224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).