2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole

C44H27N7 — CID 137307982

IUPAC2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccc(-c4ccc5[nH]c6nc7ccccc7n6c5c4)cc3c3cc(-c4ccc5[nH]c6nc7ccccc7n6c5c4)ccc32)cc1
InChIInChI=1S/C44H27N7/c1-2-8-30(9-3-1)49-37-20-16-26(28-14-18-35-41(24-28)50-39-12-6-4-10-33(39)45-43(50)47-35)22-31(37)32-23-27(17-21-38(32)49)29-15-19-36-42(25-29)51-40-13-7-5-11-34(40)46-44(51)48-36/h1-25H,(H,45,47)(H,46,48)
InChIKeyGBBKUVAQNGNRJT-UHFFFAOYSA-N
MW653.75 g/mol
LogP10.68
Rot. Bonds3

About 2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole

2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole (PubChem CID 137307982) has the molecular formula C44H27N7 and a molecular weight of 653.75 g/mol. Its IUPAC name is 2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole
PubChem CID137307982
Molecular FormulaC44H27N7
Molecular Weight653.75 g/mol
Exact Mass653.23
IUPAC Name2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccc(-c4ccc5[nH]c6nc7ccccc7n6c5c4)cc3c3cc(-c4ccc5[nH]c6nc7ccccc7n6c5c4)ccc32)cc1
InChIInChI=1S/C44H27N7/c1-2-8-30(9-3-1)49-37-20-16-26(28-14-18-35-41(24-28)50-39-12-6-4-10-33(39)45-43(50)47-35)22-31(37)32-23-27(17-21-38(32)49)29-15-19-36-42(25-29)51-40-13-7-5-11-34(40)46-44(51)48-36/h1-25H,(H,45,47)(H,46,48)
InChIKeyGBBKUVAQNGNRJT-UHFFFAOYSA-N
XLogP10.68
TPSA71.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.75
LogP ≤ 510.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole 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 2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole (CID 137307982) is 2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole is c1ccc(-n2c3ccc(-c4ccc5[nH]c6nc7ccccc7n6c5c4)cc3c3cc(-c4ccc5[nH]c6nc7ccccc7n6c5c4)ccc32)cc1.
What is the InChIKey of 2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole?
The InChIKey is GBBKUVAQNGNRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N7/c1-2-8-30(9-3-1)49-37-20-16-26(28-14-18-35-41(24-28)50-39-12-6-4-10-33(39)45-43(50)47-35)22-31(37)32-23-27(17-21-38(32)49)29-15-19-36-42(25-29)51-40-13-7-5-11-34(40)46-44(51)48-36/h1-25H,(H,45,47)(H,46,48).
What are the key properties of 2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole?
2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole has a molecular weight of 653.75 g/mol, XLogP of 10.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]-5H-benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 137307982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).