6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline

C52H31N3O2 — CID 129087743

IUPAC6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4nc5ccccc5c5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C52H31N3O2/c1-2-13-33(14-3-1)52-54-44-21-8-9-22-45(44)55(52)37-27-25-32(26-28-37)34-29-35(38-18-12-19-40-39-15-5-10-23-46(39)56-50(38)40)31-36(30-34)49-48-42-17-6-11-24-47(42)57-51(48)41-16-4-7-20-43(41)53-49/h1-31H
InChIKeyHCGAQNATCGNEFO-UHFFFAOYSA-N
MW729.84 g/mol
LogP14.04
Rot. Bonds5

About 6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline

6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 129087743) has the molecular formula C52H31N3O2 and a molecular weight of 729.84 g/mol. Its IUPAC name is 6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

Compound Name6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
PubChem CID129087743
Molecular FormulaC52H31N3O2
Molecular Weight729.84 g/mol
Exact Mass729.24
IUPAC Name6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4nc5ccccc5c5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C52H31N3O2/c1-2-13-33(14-3-1)52-54-44-21-8-9-22-45(44)55(52)37-27-25-32(26-28-37)34-29-35(38-18-12-19-40-39-15-5-10-23-46(39)56-50(38)40)31-36(30-34)49-48-42-17-6-11-24-47(42)57-51(48)41-16-4-7-20-43(41)53-49/h1-31H
InChIKeyHCGAQNATCGNEFO-UHFFFAOYSA-N
XLogP14.04
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline 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

12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine
CID 129122960
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129086228
14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123629
14-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123139
6-[3-carbazol-9-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129086158
2-(3-dibenzofuran-4-yl-5-propan-2-ylphenyl)-1-phenylbenzimidazole
CID 58309599
14-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123411
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085901
4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 169048383
6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 155018769
2,7-di(dibenzofuran-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496633
3-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 159553913

Frequently Asked Questions

What is the IUPAC name of 6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The IUPAC name of 6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline (CID 129087743) is 6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline.
What is the SMILES notation for 6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The canonical SMILES for 6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4nc5ccccc5c5oc6ccccc6c45)c3)cc2)cc1.
What is the InChIKey of 6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
The InChIKey is HCGAQNATCGNEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3O2/c1-2-13-33(14-3-1)52-54-44-21-8-9-22-45(44)55(52)37-27-25-32(26-28-37)34-29-35(38-18-12-19-40-39-15-5-10-23-46(39)56-50(38)40)31-36(30-34)49-48-42-17-6-11-24-47(42)57-51(48)41-16-4-7-20-43(41)53-49/h1-31H.
What are the key properties of 6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline?
6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline has a molecular weight of 729.84 g/mol, XLogP of 14.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-dibenzofuran-4-yl-5-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 129087743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).