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

C34H34N2O2 — CID 118671850

IUPAC4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
SMILESCOc1ncc(-c2ccccc2)cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12
InChIInChI=1S/C34H34N2O2/c1-36(2)22-21-34(37,31-20-12-18-26-15-10-11-19-29(26)31)32(27-16-8-5-9-17-27)30-23-28(24-35-33(30)38-3)25-13-6-4-7-14-25/h4-20,23-24,32,37H,21-22H2,1-3H3
InChIKeyRZACYOXRKYQXBQ-UHFFFAOYSA-N
MW502.66 g/mol
LogP6.88
Rot. Bonds9

About 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol

4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol (PubChem CID 118671850) has the molecular formula C34H34N2O2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol.

Molecular Properties

Compound Name4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
PubChem CID118671850
Molecular FormulaC34H34N2O2
Molecular Weight502.66 g/mol
Exact Mass502.26
IUPAC Name4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
SMILESCOc1ncc(-c2ccccc2)cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12
InChIInChI=1S/C34H34N2O2/c1-36(2)22-21-34(37,31-20-12-18-26-15-10-11-19-29(26)31)32(27-16-8-5-9-17-27)30-23-28(24-35-33(30)38-3)25-13-6-4-7-14-25/h4-20,23-24,32,37H,21-22H2,1-3H3
InChIKeyRZACYOXRKYQXBQ-UHFFFAOYSA-N
XLogP6.88
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol?
The IUPAC name of 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol (CID 118671850) is 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol.
What is the SMILES notation for 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol?
The canonical SMILES for 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol is COc1ncc(-c2ccccc2)cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12.
What is the InChIKey of 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol?
The InChIKey is RZACYOXRKYQXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O2/c1-36(2)22-21-34(37,31-20-12-18-26-15-10-11-19-29(26)31)32(27-16-8-5-9-17-27)30-23-28(24-35-33(30)38-3)25-13-6-4-7-14-25/h4-20,23-24,32,37H,21-22H2,1-3H3.
What are the key properties of 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol?
4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol has a molecular weight of 502.66 g/mol, XLogP of 6.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol is sourced from PubChem (CID 118671850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).