3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine

C49H32N4O2 — CID 145103649

IUPAC3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine
SMILESC=C1/C=C\C=C/N(c2cccc3oc4ccc(-c5ccc6oc7c(-n8/c(=N/c9ccccc9)[nH]c9ccccc98)cccc7c6c5)cc4c23)c2ccccc21
InChIInChI=1S/C49H32N4O2/c1-31-13-9-10-28-52(40-19-7-5-16-35(31)40)42-21-12-23-46-47(42)38-30-33(25-27-45(38)54-46)32-24-26-44-37(29-32)36-17-11-22-43(48(36)55-44)53-41-20-8-6-18-39(41)51-49(53)50-34-14-3-2-4-15-34/h2-30H,1H2,(H,50,51)/b13-9-,28-10-
InChIKeyPJDFQINYSNSSND-GWTJOJIPSA-N
MW708.82 g/mol
LogP12.89
Rot. Bonds4

About 3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine

3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine (PubChem CID 145103649) has the molecular formula C49H32N4O2 and a molecular weight of 708.82 g/mol. Its IUPAC name is 3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine.

Molecular Properties

Compound Name3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine
PubChem CID145103649
Molecular FormulaC49H32N4O2
Molecular Weight708.82 g/mol
Exact Mass708.25
IUPAC Name3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine
SMILESC=C1/C=C\C=C/N(c2cccc3oc4ccc(-c5ccc6oc7c(-n8/c(=N/c9ccccc9)[nH]c9ccccc98)cccc7c6c5)cc4c23)c2ccccc21
InChIInChI=1S/C49H32N4O2/c1-31-13-9-10-28-52(40-19-7-5-16-35(31)40)42-21-12-23-46-47(42)38-30-33(25-27-45(38)54-46)32-24-26-44-37(29-32)36-17-11-22-43(48(36)55-44)53-41-20-8-6-18-39(41)51-49(53)50-34-14-3-2-4-15-34/h2-30H,1H2,(H,50,51)/b13-9-,28-10-
InChIKeyPJDFQINYSNSSND-GWTJOJIPSA-N
XLogP12.89
TPSA62.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.82
LogP ≤ 512.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine 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

9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
(3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine
CID 89493771
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
9-[18-[3-(8-phenyldibenzofuran-2-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]-1,2-dihydrocarbazole
CID 67953551
9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole
CID 166962294
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010518
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728

Frequently Asked Questions

What is the IUPAC name of 3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine?
The IUPAC name of 3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine (CID 145103649) is 3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine.
What is the SMILES notation for 3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine?
The canonical SMILES for 3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine is C=C1/C=C\C=C/N(c2cccc3oc4ccc(-c5ccc6oc7c(-n8/c(=N/c9ccccc9)[nH]c9ccccc98)cccc7c6c5)cc4c23)c2ccccc21.
What is the InChIKey of 3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine?
The InChIKey is PJDFQINYSNSSND-GWTJOJIPSA-N. The full InChI is InChI=1S/C49H32N4O2/c1-31-13-9-10-28-52(40-19-7-5-16-35(31)40)42-21-12-23-46-47(42)38-30-33(25-27-45(38)54-46)32-24-26-44-37(29-32)36-17-11-22-43(48(36)55-44)53-41-20-8-6-18-39(41)51-49(53)50-34-14-3-2-4-15-34/h2-30H,1H2,(H,50,51)/b13-9-,28-10-.
What are the key properties of 3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine?
3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine has a molecular weight of 708.82 g/mol, XLogP of 12.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine is sourced from PubChem (CID 145103649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).