(4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile

C23H25NO6 — CID 7285391

IUPAC(4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile
SMILESCOc1ccc([C@@H]2C(C#N)=C(c3ccccc3)OC(OC)(OC)C2(OC)OC)cc1
InChIInChI=1S/C23H25NO6/c1-25-18-13-11-16(12-14-18)20-19(15-24)21(17-9-7-6-8-10-17)30-23(28-4,29-5)22(20,26-2)27-3/h6-14,20H,1-5H3/t20-/m1/s1
InChIKeyPCGQXUFHEAXNGZ-HXUWFJFHSA-N
MW411.45 g/mol
LogP3.68
Rot. Bonds7

About (4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile

(4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile (PubChem CID 7285391) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is (4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile.

Molecular Properties

Compound Name(4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile
PubChem CID7285391
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC Name(4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile
SMILESCOc1ccc([C@@H]2C(C#N)=C(c3ccccc3)OC(OC)(OC)C2(OC)OC)cc1
InChIInChI=1S/C23H25NO6/c1-25-18-13-11-16(12-14-18)20-19(15-24)21(17-9-7-6-8-10-17)30-23(28-4,29-5)22(20,26-2)27-3/h6-14,20H,1-5H3/t20-/m1/s1
InChIKeyPCGQXUFHEAXNGZ-HXUWFJFHSA-N
XLogP3.68
TPSA79.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,4R)-2-methoxy-4-(4-methoxyphenyl)-2-methyl-6-phenyl-3,4-dihydropyran-5-carbonitrile
CID 23238127
(2S,4S)-2-(4-methoxyphenyl)-6-phenyl-4-pyridin-4-yl-3,4-dihydro-2H-pyran-5-carbonitrile
CID 101117525
(2R,4R)-2-methoxy-2-methyl-4,6-diphenyl-3,4-dihydropyran-5-carbonitrile
CID 15313510
(4R)-2-amino-4-(2,5-dimethoxyphenyl)-6-phenyl-4H-pyran-3,5-dicarbonitrile
CID 1023306
6-amino-4-(4-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3125753
(2S,4R)-2-methoxy-2-methyl-6-phenyl-4-pyridin-3-yl-3,4-dihydropyran-5-carbonitrile
CID 23238128
5-(4-methoxyphenyl)-6,7,7-trimethylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarbonitrile
CID 101256361
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
cis-(1S,2S)-2-(4-methoxyphenyl)-1-phenylcyclopropane-1-carbonitrile
CID 135020770
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
ethyl (4R)-6-amino-5-cyano-4-(3,5-dimethoxyphenyl)-2-phenyl-4H-pyran-3-carboxylate
CID 1239535

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile?
The IUPAC name of (4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile (CID 7285391) is (4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile.
What is the SMILES notation for (4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile?
The canonical SMILES for (4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile is COc1ccc([C@@H]2C(C#N)=C(c3ccccc3)OC(OC)(OC)C2(OC)OC)cc1.
What is the InChIKey of (4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile?
The InChIKey is PCGQXUFHEAXNGZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25NO6/c1-25-18-13-11-16(12-14-18)20-19(15-24)21(17-9-7-6-8-10-17)30-23(28-4,29-5)22(20,26-2)27-3/h6-14,20H,1-5H3/t20-/m1/s1.
What are the key properties of (4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile?
(4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile has a molecular weight of 411.45 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile is sourced from PubChem (CID 7285391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).