1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine

C29H23NO — CID 40544814

IUPAC1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine
SMILESCc1ccc([C@H]2C(/C=N/c3ccccc3)=C(c3ccccc3)Oc3ccccc32)cc1
InChIInChI=1S/C29H23NO/c1-21-16-18-22(19-17-21)28-25-14-8-9-15-27(25)31-29(23-10-4-2-5-11-23)26(28)20-30-24-12-6-3-7-13-24/h2-20,28H,1H3/b30-20+/t28-/m1/s1
InChIKeyILLPJCYLDRPTLD-AWUWXFTQSA-N
MW401.51 g/mol
LogP7.33
Rot. Bonds4

About 1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine

1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine (PubChem CID 40544814) has the molecular formula C29H23NO and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine
PubChem CID40544814
Molecular FormulaC29H23NO
Molecular Weight401.51 g/mol
Exact Mass401.18
IUPAC Name1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine
SMILESCc1ccc([C@H]2C(/C=N/c3ccccc3)=C(c3ccccc3)Oc3ccccc32)cc1
InChIInChI=1S/C29H23NO/c1-21-16-18-22(19-17-21)28-25-14-8-9-15-27(25)31-29(23-10-4-2-5-11-23)26(28)20-30-24-12-6-3-7-13-24/h2-20,28H,1H3/b30-20+/t28-/m1/s1
InChIKeyILLPJCYLDRPTLD-AWUWXFTQSA-N
XLogP7.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine
CID 2853172
N-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine
CID 27046835
4-[(2,4-diphenyl-4H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23735542
(4S)-2-(4-ethoxyphenyl)-4-(4-methylphenyl)-4H-chromene-3-carbaldehyde
CID 1362893
3-chloro-4-methylidene-2-(4-methylphenyl)-5-phenyl-5H-1-benzoxepine
CID 3815652
4-[[2-(4-ethoxyphenyl)-4-phenyl-4H-chromen-3-yl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23852582
(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one
CID 99644827
1-[(4S)-2,4-diphenyl-4H-chromen-3-yl]-N,N-dimethylmethanamine
CID 7047438
2-[[4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3809069
2-[(5R)-3-chloro-2-(4-methylphenyl)-5-phenyl-5H-1-benzoxepin-4-ylidene]ethyl-dimethylazanium
CID 6996727
2-methylpropane;9-phenyl-9H-xanthene
CID 158880886
N-[(4S)-3-formyl-2-phenyl-4H-chromen-4-yl]-4-methylbenzenesulfonamide
CID 102040404

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine?
The IUPAC name of 1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine (CID 40544814) is 1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine.
What is the SMILES notation for 1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine?
The canonical SMILES for 1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine is Cc1ccc([C@H]2C(/C=N/c3ccccc3)=C(c3ccccc3)Oc3ccccc32)cc1.
What is the InChIKey of 1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine?
The InChIKey is ILLPJCYLDRPTLD-AWUWXFTQSA-N. The full InChI is InChI=1S/C29H23NO/c1-21-16-18-22(19-17-21)28-25-14-8-9-15-27(25)31-29(23-10-4-2-5-11-23)26(28)20-30-24-12-6-3-7-13-24/h2-20,28H,1H3/b30-20+/t28-/m1/s1.
What are the key properties of 1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine?
1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine has a molecular weight of 401.51 g/mol, XLogP of 7.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine is sourced from PubChem (CID 40544814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).