5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole

C74H48N6 — CID 58953615

IUPAC5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole
SMILESc1ccc(-c2c3ccc(-c4cncc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c4)cc3c(-c3ccccc3)c3ccc(-c4cncc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c4)cc23)cc1
InChIInChI=1S/C74H48N6/c1-7-19-49(20-8-1)71-63-35-31-54(58-40-60(48-76-46-58)56-34-38-70-68(44-56)78-74(52-25-13-4-14-26-52)80(70)62-29-17-6-18-30-62)42-66(63)72(50-21-9-2-10-22-50)64-36-32-53(41-65(64)71)57-39-59(47-75-45-57)55-33-37-69-67(43-55)77-73(51-23-11-3-12-24-51)79(69)61-27-15-5-16-28-61/h1-48H
InChIKeyODKYHFQRJVNANW-UHFFFAOYSA-N
MW1021.24 g/mol
LogP18.80
Rot. Bonds10

About 5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole

5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole (PubChem CID 58953615) has the molecular formula C74H48N6 and a molecular weight of 1021.24 g/mol. Its IUPAC name is 5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole.

Molecular Properties

Compound Name5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole
PubChem CID58953615
Molecular FormulaC74H48N6
Molecular Weight1021.24 g/mol
Exact Mass1020.39
IUPAC Name5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole
SMILESc1ccc(-c2c3ccc(-c4cncc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c4)cc3c(-c3ccccc3)c3ccc(-c4cncc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c4)cc23)cc1
InChIInChI=1S/C74H48N6/c1-7-19-49(20-8-1)71-63-35-31-54(58-40-60(48-76-46-58)56-34-38-70-68(44-56)78-74(52-25-13-4-14-26-52)80(70)62-29-17-6-18-30-62)42-66(63)72(50-21-9-2-10-22-50)64-36-32-53(41-65(64)71)57-39-59(47-75-45-57)55-33-37-69-67(43-55)77-73(51-23-11-3-12-24-51)79(69)61-27-15-5-16-28-61/h1-48H
InChIKeyODKYHFQRJVNANW-UHFFFAOYSA-N
XLogP18.80
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.24
LogP ≤ 518.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole?
The IUPAC name of 5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole (CID 58953615) is 5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole.
What is the SMILES notation for 5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole?
The canonical SMILES for 5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole is c1ccc(-c2c3ccc(-c4cncc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c4)cc3c(-c3ccccc3)c3ccc(-c4cncc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c4)cc23)cc1.
What is the InChIKey of 5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole?
The InChIKey is ODKYHFQRJVNANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N6/c1-7-19-49(20-8-1)71-63-35-31-54(58-40-60(48-76-46-58)56-34-38-70-68(44-56)78-74(52-25-13-4-14-26-52)80(70)62-29-17-6-18-30-62)42-66(63)72(50-21-9-2-10-22-50)64-36-32-53(41-65(64)71)57-39-59(47-75-45-57)55-33-37-69-67(43-55)77-73(51-23-11-3-12-24-51)79(69)61-27-15-5-16-28-61/h1-48H.
What are the key properties of 5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole?
5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole has a molecular weight of 1021.24 g/mol, XLogP of 18.80, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[6-[5-(1,2-diphenylbenzimidazol-5-yl)-3-pyridinyl]-9,10-diphenylanthracen-2-yl]-3-pyridinyl]-1,2-diphenylbenzimidazole is sourced from PubChem (CID 58953615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).