N-(4-methylphenyl)-3-phenylisochromen-1-imine

C22H17NO — CID 44623219

IUPACN-(4-methylphenyl)-3-phenylisochromen-1-imine
SMILESCc1ccc(/N=c2\oc(-c3ccccc3)cc3ccccc23)cc1
InChIInChI=1S/C22H17NO/c1-16-11-13-19(14-12-16)23-22-20-10-6-5-9-18(20)15-21(24-22)17-7-3-2-4-8-17/h2-15H,1H3/b23-22-
InChIKeyNREQGKLVGJWMRR-FCQUAONHSA-N
MW311.38 g/mol
LogP5.64
Rot. Bonds2

About N-(4-methylphenyl)-3-phenylisochromen-1-imine

N-(4-methylphenyl)-3-phenylisochromen-1-imine (PubChem CID 44623219) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-phenylisochromen-1-imine.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-phenylisochromen-1-imine
PubChem CID44623219
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC NameN-(4-methylphenyl)-3-phenylisochromen-1-imine
SMILESCc1ccc(/N=c2\oc(-c3ccccc3)cc3ccccc23)cc1
InChIInChI=1S/C22H17NO/c1-16-11-13-19(14-12-16)23-22-20-10-6-5-9-18(20)15-21(24-22)17-7-3-2-4-8-17/h2-15H,1H3/b23-22-
InChIKeyNREQGKLVGJWMRR-FCQUAONHSA-N
XLogP5.64
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-3-prop-1-en-2-ylisochromen-1-imine
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4-(4-chlorophenyl)tellanyl-N-(4-methylphenyl)-3-phenylisochromen-1-imine
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2-[4-(3-methylphenyl)phenyl]-1-benzofuran
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4-(4-methylanilino)-6-phenylpyran-2-one
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N,3-diphenylchromen-2-imine
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2-tert-butyl-5-(4-methylphenyl)-3-phenylfuran
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9-(4-methylphenyl)-10-phenylanthracene
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6-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 139469551

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-phenylisochromen-1-imine?
The IUPAC name of N-(4-methylphenyl)-3-phenylisochromen-1-imine (CID 44623219) is N-(4-methylphenyl)-3-phenylisochromen-1-imine.
What is the SMILES notation for N-(4-methylphenyl)-3-phenylisochromen-1-imine?
The canonical SMILES for N-(4-methylphenyl)-3-phenylisochromen-1-imine is Cc1ccc(/N=c2\oc(-c3ccccc3)cc3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-phenylisochromen-1-imine?
The InChIKey is NREQGKLVGJWMRR-FCQUAONHSA-N. The full InChI is InChI=1S/C22H17NO/c1-16-11-13-19(14-12-16)23-22-20-10-6-5-9-18(20)15-21(24-22)17-7-3-2-4-8-17/h2-15H,1H3/b23-22-.
What are the key properties of N-(4-methylphenyl)-3-phenylisochromen-1-imine?
N-(4-methylphenyl)-3-phenylisochromen-1-imine has a molecular weight of 311.38 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-phenylisochromen-1-imine is sourced from PubChem (CID 44623219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).