2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole

C37H24N2 — CID 169071034

IUPAC2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
SMILES[2H]c1c([2H])c([2H])c(-n2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)nc3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C37H24N2/c1-2-15-26(16-3-1)39-34-24-11-10-23-33(34)38-37(39)36-31-20-8-6-18-29(31)35(30-19-7-9-21-32(30)36)28-22-12-14-25-13-4-5-17-27(25)28/h1-24H/i1D,2D,3D,15D,16D
InChIKeyBTJWHSAKTYOUAP-NVQYRDKCSA-N
MW501.64 g/mol
LogP9.82
Rot. Bonds3

About 2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole

2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole (PubChem CID 169071034) has the molecular formula C37H24N2 and a molecular weight of 501.64 g/mol. Its IUPAC name is 2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole.

Molecular Properties

Compound Name2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
PubChem CID169071034
Molecular FormulaC37H24N2
Molecular Weight501.64 g/mol
Exact Mass501.23
IUPAC Name2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
SMILES[2H]c1c([2H])c([2H])c(-n2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)nc3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C37H24N2/c1-2-15-26(16-3-1)39-34-24-11-10-23-33(34)38-37(39)36-31-20-8-6-18-29(31)35(30-19-7-9-21-32(30)36)28-22-12-14-25-13-4-5-17-27(25)28/h1-24H/i1D,2D,3D,15D,16D
InChIKeyBTJWHSAKTYOUAP-NVQYRDKCSA-N
XLogP9.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.64
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole 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-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 170236367
2-[2-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole
CID 169070179
1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
CID 169070408
2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole
CID 169071852
2-[10-dibenzofuran-1-yl-3-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
CID 169071309
2-[2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
CID 169071180
1-(2,3,4,5,6-pentadeuteriophenyl)-2-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]benzimidazole
CID 169070499
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
CID 169071267
1-(2,3,4,5,6-pentadeuteriophenyl)-2-[2-[3-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracen-9-yl]phenyl]benzimidazole
CID 169072139
1-[4-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
CID 169070481
1-(2,3,4,5,6-pentadeuteriophenyl)-2-[2-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 169070191
2-[2-[1,2,3,4,5,6,7,8-octadeuterio-10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
CID 169071978

Frequently Asked Questions

What is the IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole?
The IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole (CID 169071034) is 2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole.
What is the SMILES notation for 2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole?
The canonical SMILES for 2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole is [2H]c1c([2H])c([2H])c(-n2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)nc3ccccc32)c([2H])c1[2H].
What is the InChIKey of 2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole?
The InChIKey is BTJWHSAKTYOUAP-NVQYRDKCSA-N. The full InChI is InChI=1S/C37H24N2/c1-2-15-26(16-3-1)39-34-24-11-10-23-33(34)38-37(39)36-31-20-8-6-18-29(31)35(30-19-7-9-21-32(30)36)28-22-12-14-25-13-4-5-17-27(25)28/h1-24H/i1D,2D,3D,15D,16D.
What are the key properties of 2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole?
2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole has a molecular weight of 501.64 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-naphthalen-1-ylanthracen-9-yl)-1-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole is sourced from PubChem (CID 169071034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).