2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole

C44H32N2 — CID 123428890

IUPAC2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole
SMILESC=CC(=CC=C(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C44H32N2/c1-3-31(44-45-40-23-13-14-24-41(40)46(44)35-17-5-4-6-18-35)26-25-30(2)42-36-19-9-11-21-38(36)43(39-22-12-10-20-37(39)42)34-28-27-32-15-7-8-16-33(32)29-34/h3-29H,1H2,2H3
InChIKeyYXZHQARQUMSEOT-UHFFFAOYSA-N
MW588.75 g/mol
LogP11.82
Rot. Bonds6

About 2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole

2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole (PubChem CID 123428890) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole
PubChem CID123428890
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole
SMILESC=CC(=CC=C(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12)c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C44H32N2/c1-3-31(44-45-40-23-13-14-24-41(40)46(44)35-17-5-4-6-18-35)26-25-30(2)42-36-19-9-11-21-38(36)43(39-22-12-10-20-37(39)42)34-28-27-32-15-7-8-16-33(32)29-34/h3-29H,1H2,2H3
InChIKeyYXZHQARQUMSEOT-UHFFFAOYSA-N
XLogP11.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole 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-[(3E)-hexa-1,3,5-trien-3-yl]-1-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]benzimidazole
CID 143548326
2-[4-[(E)-1-(3-ethenyl-1,4-dinaphthalen-2-ylnaphthalen-2-yl)prop-1-en-2-yl]phenyl]-1-phenylbenzimidazole
CID 166852058
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole;2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylbenzimidazole
CID 158004452
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole
CID 166510005
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58876120
2-[9-naphthalen-2-yl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]benzene-1,3-diol
CID 90380743

Frequently Asked Questions

What is the IUPAC name of 2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole?
The IUPAC name of 2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole (CID 123428890) is 2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole is C=CC(=CC=C(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12)c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole?
The InChIKey is YXZHQARQUMSEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c1-3-31(44-45-40-23-13-14-24-41(40)46(44)35-17-5-4-6-18-35)26-25-30(2)42-36-19-9-11-21-38(36)43(39-22-12-10-20-37(39)42)34-28-27-32-15-7-8-16-33(32)29-34/h3-29H,1H2,2H3.
What are the key properties of 2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole?
2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole has a molecular weight of 588.75 g/mol, XLogP of 11.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 123428890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).