8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

C54H32N6O2 — CID 142336592

IUPAC8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-n2c(-c3ccc4oc5c(-c6ccc(-c7ccnc8c7oc7ccc(-c9nc%10ccccc%10n9-c9ccccc9)cc78)cc6)ccnc5c4c3)nc3ccccc32)cc1
InChIInChI=1S/C54H32N6O2/c1-3-11-37(12-4-1)59-45-17-9-7-15-43(45)57-53(59)35-23-25-47-41(31-35)49-51(61-47)39(27-29-55-49)33-19-21-34(22-20-33)40-28-30-56-50-42-32-36(24-26-48(42)62-52(40)50)54-58-44-16-8-10-18-46(44)60(54)38-13-5-2-6-14-38/h1-32H
InChIKeyZTZPLAXJHCSIBM-UHFFFAOYSA-N
MW796.89 g/mol
LogP13.62
Rot. Bonds6

About 8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336592) has the molecular formula C54H32N6O2 and a molecular weight of 796.89 g/mol. Its IUPAC name is 8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID142336592
Molecular FormulaC54H32N6O2
Molecular Weight796.89 g/mol
Exact Mass796.26
IUPAC Name8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-n2c(-c3ccc4oc5c(-c6ccc(-c7ccnc8c7oc7ccc(-c9nc%10ccccc%10n9-c9ccccc9)cc78)cc6)ccnc5c4c3)nc3ccccc32)cc1
InChIInChI=1S/C54H32N6O2/c1-3-11-37(12-4-1)59-45-17-9-7-15-43(45)57-53(59)35-23-25-47-41(31-35)49-51(61-47)39(27-29-55-49)33-19-21-34(22-20-33)40-28-30-56-50-42-32-36(24-26-48(42)62-52(40)50)54-58-44-16-8-10-18-46(44)60(54)38-13-5-2-6-14-38/h1-32H
InChIKeyZTZPLAXJHCSIBM-UHFFFAOYSA-N
XLogP13.62
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.89
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine 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

2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole
CID 58309692
5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline
CID 138705119
2-(9-chlorodibenzofuran-2-yl)-1-phenylbenzimidazole
CID 155477397
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 130191509
5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline
CID 138705106
2-(7-phenyldibenzofuran-2-yl)-1-(3-phenylphenyl)benzimidazole
CID 157379685
6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 155792535
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine
CID 142336373
4-[3-(1-phenylbenzimidazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 169048383
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535

Frequently Asked Questions

What is the IUPAC name of 8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 142336592) is 8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-n2c(-c3ccc4oc5c(-c6ccc(-c7ccnc8c7oc7ccc(-c9nc%10ccccc%10n9-c9ccccc9)cc78)cc6)ccnc5c4c3)nc3ccccc32)cc1.
What is the InChIKey of 8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is ZTZPLAXJHCSIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N6O2/c1-3-11-37(12-4-1)59-45-17-9-7-15-43(45)57-53(59)35-23-25-47-41(31-35)49-51(61-47)39(27-29-55-49)33-19-21-34(22-20-33)40-28-30-56-50-42-32-36(24-26-48(42)62-52(40)50)54-58-44-16-8-10-18-46(44)60(54)38-13-5-2-6-14-38/h1-32H.
What are the key properties of 8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 796.89 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).