N-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine

C29H22BrNO — CID 27046835

IUPACN-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine
SMILESCc1ccc([C@@H]2C(/C=N/c3ccccc3Br)=C(c3ccccc3)Oc3ccccc32)cc1
InChIInChI=1S/C29H22BrNO/c1-20-15-17-21(18-16-20)28-23-11-5-8-14-27(23)32-29(22-9-3-2-4-10-22)24(28)19-31-26-13-7-6-12-25(26)30/h2-19,28H,1H3/b31-19+/t28-/m0/s1
InChIKeyWJGSYKAYVDBSML-NGUGDGFLSA-N
MW480.41 g/mol
LogP8.10
Rot. Bonds4

About N-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine

N-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine (PubChem CID 27046835) has the molecular formula C29H22BrNO and a molecular weight of 480.41 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine
PubChem CID27046835
Molecular FormulaC29H22BrNO
Molecular Weight480.41 g/mol
Exact Mass479.09
IUPAC NameN-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine
SMILESCc1ccc([C@@H]2C(/C=N/c3ccccc3Br)=C(c3ccccc3)Oc3ccccc32)cc1
InChIInChI=1S/C29H22BrNO/c1-20-15-17-21(18-16-20)28-23-11-5-8-14-27(23)32-29(22-9-3-2-4-10-22)24(28)19-31-26-13-7-6-12-25(26)30/h2-19,28H,1H3/b31-19+/t28-/m0/s1
InChIKeyWJGSYKAYVDBSML-NGUGDGFLSA-N
XLogP8.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.41
LogP ≤ 58.10
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-[(4R)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]-N-phenylmethanimine
CID 40544814
1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine
CID 2853172
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
2-[[4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3809069
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-[(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 N-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine?
The IUPAC name of N-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine (CID 27046835) is N-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine.
What is the SMILES notation for N-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine?
The canonical SMILES for N-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine is Cc1ccc([C@@H]2C(/C=N/c3ccccc3Br)=C(c3ccccc3)Oc3ccccc32)cc1.
What is the InChIKey of N-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine?
The InChIKey is WJGSYKAYVDBSML-NGUGDGFLSA-N. The full InChI is InChI=1S/C29H22BrNO/c1-20-15-17-21(18-16-20)28-23-11-5-8-14-27(23)32-29(22-9-3-2-4-10-22)24(28)19-31-26-13-7-6-12-25(26)30/h2-19,28H,1H3/b31-19+/t28-/m0/s1.
What are the key properties of N-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine?
N-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine has a molecular weight of 480.41 g/mol, XLogP of 8.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-[(4S)-4-(4-methylphenyl)-2-phenyl-4H-chromen-3-yl]methanimine is sourced from PubChem (CID 27046835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).