[4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene

C54H54N4O — CID 142453044

IUPAC[4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene
SMILESCN.Cc1ccccc1.NCc1ccc(-c2c(-c3cccc(Cc4ccccc4)c3)ccc3c2oc2ccccc23)cc1.NCc1ccccc1.[H]/N=C/c1ccccc1
InChIInChI=1S/C32H25NO.C7H9N.C7H7N.C7H8.CH5N/c33-21-23-13-15-25(16-14-23)31-27(17-18-29-28-11-4-5-12-30(28)34-32(29)31)26-10-6-9-24(20-26)19-22-7-2-1-3-8-22;2*8-6-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7;1-2/h1-18,20H,19,21,33H2;1-5H,6,8H2;1-6,8H;2-6H,1H3;2H2,1H3/b;;8-6+;;
InChIKeyLOFXVXRMZRTTGA-RHKBWCPZSA-N
MW775.05 g/mol
LogP12.37
Rot. Bonds7

About [4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene

[4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene (PubChem CID 142453044) has the molecular formula C54H54N4O and a molecular weight of 775.05 g/mol. Its IUPAC name is [4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene.

Molecular Properties

Compound Name[4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene
PubChem CID142453044
Molecular FormulaC54H54N4O
Molecular Weight775.05 g/mol
Exact Mass774.43
IUPAC Name[4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene
SMILESCN.Cc1ccccc1.NCc1ccc(-c2c(-c3cccc(Cc4ccccc4)c3)ccc3c2oc2ccccc23)cc1.NCc1ccccc1.[H]/N=C/c1ccccc1
InChIInChI=1S/C32H25NO.C7H9N.C7H7N.C7H8.CH5N/c33-21-23-13-15-25(16-14-23)31-27(17-18-29-28-11-4-5-12-30(28)34-32(29)31)26-10-6-9-24(20-26)19-22-7-2-1-3-8-22;2*8-6-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7;1-2/h1-18,20H,19,21,33H2;1-5H,6,8H2;1-6,8H;2-6H,1H3;2H2,1H3/b;;8-6+;;
InChIKeyLOFXVXRMZRTTGA-RHKBWCPZSA-N
XLogP12.37
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.05
LogP ≤ 512.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-4-phenyldibenzofuran;cumene;ethane;1-phenylethanimine;phenylmethanimine
CID 142453173
(8-chrysen-2-yldibenzofuran-1-yl)methanimine;phenylmethanamine;toluene
CID 145447641
10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene
CID 142294282
9-(2-dibenzofuran-4-ylphenyl)-3-(4-phenyldibenzofuran-3-yl)-6-(2-phenylphenyl)carbazole
CID 166011013
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774
1-(3-benzylphenyl)-3-(3-methylphenyl)dibenzofuran;N-[(Z)-1,3-diphenylprop-1-enyl]methanimine;methanamine;phenylmethanamine
CID 142453100
3-benzyldibenzofuran;hydrazine;methanimine
CID 142504911
[4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine
CID 116987372
4-(3-methylphenyl)-6-phenyldibenzofuran;4-phenylbenzenecarboximidamide;phenylmethanamine
CID 142481954
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline
CID 135277346
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene?
The IUPAC name of [4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene (CID 142453044) is [4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene.
What is the SMILES notation for [4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene?
The canonical SMILES for [4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene is CN.Cc1ccccc1.NCc1ccc(-c2c(-c3cccc(Cc4ccccc4)c3)ccc3c2oc2ccccc23)cc1.NCc1ccccc1.[H]/N=C/c1ccccc1.
What is the InChIKey of [4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene?
The InChIKey is LOFXVXRMZRTTGA-RHKBWCPZSA-N. The full InChI is InChI=1S/C32H25NO.C7H9N.C7H7N.C7H8.CH5N/c33-21-23-13-15-25(16-14-23)31-27(17-18-29-28-11-4-5-12-30(28)34-32(29)31)26-10-6-9-24(20-26)19-22-7-2-1-3-8-22;2*8-6-7-4-2-1-3-5-7;1-7-5-3-2-4-6-7;1-2/h1-18,20H,19,21,33H2;1-5H,6,8H2;1-6,8H;2-6H,1H3;2H2,1H3/b;;8-6+;;.
What are the key properties of [4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene?
[4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene has a molecular weight of 775.05 g/mol, XLogP of 12.37, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene is sourced from PubChem (CID 142453044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).