1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol

C32H29NO2 — CID 174985178

IUPAC1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
SMILESCCC(O)(c1cccc2ccccc12)C(c1ccccc1)c1cc(-c2ccccc2)cnc1OC
InChIInChI=1S/C32H29NO2/c1-3-32(34,29-20-12-18-24-15-10-11-19-27(24)29)30(25-16-8-5-9-17-25)28-21-26(22-33-31(28)35-2)23-13-6-4-7-14-23/h4-22,30,34H,3H2,1-2H3
InChIKeyGXGJUENORVKELE-UHFFFAOYSA-N
MW459.59 g/mol
LogP7.34
Rot. Bonds7

About 1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol

1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol (PubChem CID 174985178) has the molecular formula C32H29NO2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
PubChem CID174985178
Molecular FormulaC32H29NO2
Molecular Weight459.59 g/mol
Exact Mass459.22
IUPAC Name1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
SMILESCCC(O)(c1cccc2ccccc12)C(c1ccccc1)c1cc(-c2ccccc2)cnc1OC
InChIInChI=1S/C32H29NO2/c1-3-32(34,29-20-12-18-24-15-10-11-19-27(24)29)30(25-16-8-5-9-17-25)28-21-26(22-33-31(28)35-2)23-13-6-4-7-14-23/h4-22,30,34H,3H2,1-2H3
InChIKeyGXGJUENORVKELE-UHFFFAOYSA-N
XLogP7.34
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-1-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 129135248
1-[5-(3,4-difluorophenyl)-2-methoxy-3-pyridinyl]-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 118672049
5-[4-(dimethylamino)-2-hydroxy-2-naphthalen-1-yl-1-phenylbutyl]-6-methoxypyridine-3-carbaldehyde
CID 118671827
4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane
CID 144997558
4-(dimethylamino)-1-[2-methoxy-5-(1-methylacridin-4-yl)-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 151637427
(1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 124581629
4-(dimethylamino)-1-[2-methoxy-5-[(E)-5-methylsulfanylpent-2-en-3-yl]-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 129156873
4-(dimethylamino)-1-(2-methoxy-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 118671929
3-benzyl-3-hydroxy-4-(2-methoxy-5-phenyl-3-pyridinyl)-4-phenylbutanal
CID 118671989
CID 88964570
CID 88964570
2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol
CID 118671848
1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 174985084

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol?
The IUPAC name of 1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol (CID 174985178) is 1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol.
What is the SMILES notation for 1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol?
The canonical SMILES for 1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol is CCC(O)(c1cccc2ccccc12)C(c1ccccc1)c1cc(-c2ccccc2)cnc1OC.
What is the InChIKey of 1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol?
The InChIKey is GXGJUENORVKELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO2/c1-3-32(34,29-20-12-18-24-15-10-11-19-27(24)29)30(25-16-8-5-9-17-25)28-21-26(22-33-31(28)35-2)23-13-6-4-7-14-23/h4-22,30,34H,3H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol?
1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol has a molecular weight of 459.59 g/mol, XLogP of 7.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol is sourced from PubChem (CID 174985178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).