(Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine

C45H32N2O — CID 145447951

IUPAC(Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine
SMILES[H]/N=C(\C=C(/N)c1ccccc1)c1cccc2oc3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4-c4ccccc4)cc3c12
InChIInChI=1S/C45H32N2O/c46-41(34-15-8-3-9-16-34)29-42(47)38-17-10-18-44-45(38)40-28-36(24-26-43(40)48-44)37-25-23-35(27-39(37)33-13-6-2-7-14-33)32-21-19-31(20-22-32)30-11-4-1-5-12-30/h1-29,47H,46H2/b41-29-,47-42+
InChIKeyDAHBJJMETPLNIX-UTIOMGJJSA-N
MW616.76 g/mol
LogP11.62
Rot. Bonds7

About (Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine

(Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine (PubChem CID 145447951) has the molecular formula C45H32N2O and a molecular weight of 616.76 g/mol. Its IUPAC name is (Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine
PubChem CID145447951
Molecular FormulaC45H32N2O
Molecular Weight616.76 g/mol
Exact Mass616.25
IUPAC Name(Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine
SMILES[H]/N=C(\C=C(/N)c1ccccc1)c1cccc2oc3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4-c4ccccc4)cc3c12
InChIInChI=1S/C45H32N2O/c46-41(34-15-8-3-9-16-34)29-42(47)38-17-10-18-44-45(38)40-28-36(24-26-43(40)48-44)37-25-23-35(27-39(37)33-13-6-2-7-14-33)32-21-19-31(20-22-32)30-11-4-1-5-12-30/h1-29,47H,46H2/b41-29-,47-42+
InChIKeyDAHBJJMETPLNIX-UTIOMGJJSA-N
XLogP11.62
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.76
LogP ≤ 511.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine 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

8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene
CID 145447469
[8-(4-phenylphenyl)dibenzofuran-1-yl]methanimine
CID 145447482
N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide
CID 145447845
2,4-diphenyl-6-[8-[4-phenyl-3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199084
2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 134199075
2-phenyl-4-(3-phenylphenyl)-6-[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946253
(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene
CID 145412712
(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine
CID 145412713
2-[8-[4-(2,4-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 160543565
(Z)-3-imino-1,3-diphenylprop-1-en-1-amine;N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-[4-methoxy-3-[8-(3-methylphenyl)dibenzofuran-3-yl]phenyl]aniline
CID 143904949
2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163478028
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine (CID 145447951) is (Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine is [H]/N=C(\C=C(/N)c1ccccc1)c1cccc2oc3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4-c4ccccc4)cc3c12.
What is the InChIKey of (Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine?
The InChIKey is DAHBJJMETPLNIX-UTIOMGJJSA-N. The full InChI is InChI=1S/C45H32N2O/c46-41(34-15-8-3-9-16-34)29-42(47)38-17-10-18-44-45(38)40-28-36(24-26-43(40)48-44)37-25-23-35(27-39(37)33-13-6-2-7-14-33)32-21-19-31(20-22-32)30-11-4-1-5-12-30/h1-29,47H,46H2/b41-29-,47-42+.
What are the key properties of (Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine?
(Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine has a molecular weight of 616.76 g/mol, XLogP of 11.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine is sourced from PubChem (CID 145447951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).