(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone

C30H23NO2 — CID 21432102

IUPAC(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone
SMILESCc1ccccc1C(=O)c1cccc2ccccc12.O=C(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H14O.C12H9NO/c1-13-7-2-4-10-15(13)18(19)17-12-6-9-14-8-3-5-11-16(14)17;14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h2-12H,1H3;1-9H
InChIKeyVFMFALBXXZJGIG-UHFFFAOYSA-N
MW429.52 g/mol
LogP6.69
Rot. Bonds4

About (2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone

(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone (PubChem CID 21432102) has the molecular formula C30H23NO2 and a molecular weight of 429.52 g/mol. Its IUPAC name is (2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone.

Molecular Properties

Compound Name(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone
PubChem CID21432102
Molecular FormulaC30H23NO2
Molecular Weight429.52 g/mol
Exact Mass429.17
IUPAC Name(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone
SMILESCc1ccccc1C(=O)c1cccc2ccccc12.O=C(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H14O.C12H9NO/c1-13-7-2-4-10-15(13)18(19)17-12-6-9-14-8-3-5-11-16(14)17;14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h2-12H,1H3;1-9H
InChIKeyVFMFALBXXZJGIG-UHFFFAOYSA-N
XLogP6.69
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)-pyridin-4-ylmethanone
CID 19957162
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
methane;naphthalen-1-yl(phenyl)methanone;sulfuric acid
CID 70453659
N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
CID 7256390
methylsulfonylbenzene;naphthalen-1-yl(phenyl)methanone
CID 174806443
(2-bromo-3-methylphenyl)-isoquinolin-5-ylmethanone
CID 107984477
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
CID 175125540
1-aminopropan-2-one;(2-methylphenyl)-phenylmethanone
CID 143285715
tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium
CID 4004269
carbonic acid;1-methylnaphthalene
CID 66808059

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone?
The IUPAC name of (2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone (CID 21432102) is (2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone.
What is the SMILES notation for (2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone?
The canonical SMILES for (2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone is Cc1ccccc1C(=O)c1cccc2ccccc12.O=C(c1ccccc1)c1ccncc1.
What is the InChIKey of (2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone?
The InChIKey is VFMFALBXXZJGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O.C12H9NO/c1-13-7-2-4-10-15(13)18(19)17-12-6-9-14-8-3-5-11-16(14)17;14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h2-12H,1H3;1-9H.
What are the key properties of (2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone?
(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone has a molecular weight of 429.52 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone is sourced from PubChem (CID 21432102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).