3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline

C41H28N2 — CID 175636623

IUPAC3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline
SMILESC1=CC(c2ccc(-c3c4ccccc4c(-c4ccc5c(ccc6nc7ccccc7n65)c4)c4ccccc34)cc2)=CCC1
InChIInChI=1S/C41H28N2/c1-2-10-27(11-3-1)28-18-20-29(21-19-28)40-32-12-4-6-14-34(32)41(35-15-7-5-13-33(35)40)31-22-24-37-30(26-31)23-25-39-42-36-16-8-9-17-38(36)43(37)39/h2,4-26H,1,3H2
InChIKeyBKHWZMXYXXTOBN-UHFFFAOYSA-N
MW548.69 g/mol
LogP11.01
Rot. Bonds3

About 3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline

3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline (PubChem CID 175636623) has the molecular formula C41H28N2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline.

Molecular Properties

Compound Name3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline
PubChem CID175636623
Molecular FormulaC41H28N2
Molecular Weight548.69 g/mol
Exact Mass548.23
IUPAC Name3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline
SMILESC1=CC(c2ccc(-c3c4ccccc4c(-c4ccc5c(ccc6nc7ccccc7n65)c4)c4ccccc34)cc2)=CCC1
InChIInChI=1S/C41H28N2/c1-2-10-27(11-3-1)28-18-20-29(21-19-28)40-32-12-4-6-14-34(32)41(35-15-7-5-13-33(35)40)31-22-24-37-30(26-31)23-25-39-42-36-16-8-9-17-38(36)43(37)39/h2,4-26H,1,3H2
InChIKeyBKHWZMXYXXTOBN-UHFFFAOYSA-N
XLogP11.01
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]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

1-cyclohexa-1,5-dien-1-yl-2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]benzimidazole
CID 89285985
3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline
CID 164745434
6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline
CID 145180264
1-tert-butyl-2-cyclohexa-1,5-dien-1-yl-5-(9,10-diphenylanthracen-2-yl)benzimidazole
CID 143119530
1-[4-(10-cyclohexa-1,5-dien-1-yl-2-methylanthracen-9-yl)phenyl]-2-cyclohex-2-en-1-ylbenzimidazole
CID 167210577
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588
9-cyclohexa-1,5-dien-1-yl-2-(10-phenanthren-2-ylanthracen-9-yl)carbazole
CID 89189458
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
7-[10-[4-[4-(5-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylphenyl)phenyl]phenyl]anthracen-9-yl]quinoline
CID 139394616
2-cyclohexa-1,5-dien-1-yl-1-[4-(2-methyl-10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]benzimidazole
CID 174299556
9-[4-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 145283567
1-cyclohexa-2,4-dien-1-yl-6-[4-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)phenyl]-2-methylbenzimidazole
CID 170004457

Frequently Asked Questions

What is the IUPAC name of 3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline?
The IUPAC name of 3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline (CID 175636623) is 3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline.
What is the SMILES notation for 3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline?
The canonical SMILES for 3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline is C1=CC(c2ccc(-c3c4ccccc4c(-c4ccc5c(ccc6nc7ccccc7n65)c4)c4ccccc34)cc2)=CCC1.
What is the InChIKey of 3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline?
The InChIKey is BKHWZMXYXXTOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2/c1-2-10-27(11-3-1)28-18-20-29(21-19-28)40-32-12-4-6-14-34(32)41(35-15-7-5-13-33(35)40)31-22-24-37-30(26-31)23-25-39-42-36-16-8-9-17-38(36)43(37)39/h2,4-26H,1,3H2.
What are the key properties of 3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline?
3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline has a molecular weight of 548.69 g/mol, XLogP of 11.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline is sourced from PubChem (CID 175636623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).