[1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine

C30H23N — CID 146369049

IUPAC[1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine
SMILES[H]/N=C/c1ccc2ccccc2c1-c1ccc(-c2cccc(-c3ccccc3)c2)cc1C
InChIInChI=1S/C30H23N/c1-21-18-26(25-12-7-11-24(19-25)22-8-3-2-4-9-22)16-17-28(21)30-27(20-31)15-14-23-10-5-6-13-29(23)30/h2-20,31H,1H3/b31-20+
InChIKeyTWECIOLWDLSWHM-AJBULDERSA-N
MW397.52 g/mol
LogP8.15
Rot. Bonds4

About [1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine

[1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine (PubChem CID 146369049) has the molecular formula C30H23N and a molecular weight of 397.52 g/mol. Its IUPAC name is [1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine.

Molecular Properties

Compound Name[1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine
PubChem CID146369049
Molecular FormulaC30H23N
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC Name[1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine
SMILES[H]/N=C/c1ccc2ccccc2c1-c1ccc(-c2cccc(-c3ccccc3)c2)cc1C
InChIInChI=1S/C30H23N/c1-21-18-26(25-12-7-11-24(19-25)22-8-3-2-4-9-22)16-17-28(21)30-27(20-31)15-14-23-10-5-6-13-29(23)30/h2-20,31H,1H3/b31-20+
InChIKeyTWECIOLWDLSWHM-AJBULDERSA-N
XLogP8.15
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 58.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[3-[3-methyl-4-(3-methylnaphthalen-2-yl)phenyl]phenyl]-10-(4-naphthalen-2-ylphenyl)anthracene
CID 144703489
2-[2-methyl-4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]triphenylene
CID 123442810
3-(2-methyl-5-phenylphenyl)benzo[f]quinoline
CID 122666731
1-(2-methylphenyl)-2-phenylnaphthalene
CID 101418577
methane;(4-phenylphenyl)methanimine;[4-(3-phenylphenyl)phenyl]methanimine;[4-[3-(3-phenylphenyl)phenyl]phenyl]methanimine;[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]methanimine
CID 167704574
17-[3-(6-phenylnaphthalen-1-yl)phenyl]pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaene
CID 140710568
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
1-(2-methyl-4-naphthalen-1-ylphenyl)naphthalene
CID 145377660
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117
2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene
CID 162497500
(Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine
CID 176835191
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167

Frequently Asked Questions

What is the IUPAC name of [1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine?
The IUPAC name of [1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine (CID 146369049) is [1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine.
What is the SMILES notation for [1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine?
The canonical SMILES for [1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine is [H]/N=C/c1ccc2ccccc2c1-c1ccc(-c2cccc(-c3ccccc3)c2)cc1C.
What is the InChIKey of [1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine?
The InChIKey is TWECIOLWDLSWHM-AJBULDERSA-N. The full InChI is InChI=1S/C30H23N/c1-21-18-26(25-12-7-11-24(19-25)22-8-3-2-4-9-22)16-17-28(21)30-27(20-31)15-14-23-10-5-6-13-29(23)30/h2-20,31H,1H3/b31-20+.
What are the key properties of [1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine?
[1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine has a molecular weight of 397.52 g/mol, XLogP of 8.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine is sourced from PubChem (CID 146369049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).