1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole

C43H30N2 — CID 169071363

IUPAC1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole
SMILES[2H]C([2H])([2H])C([2H])([2H])c1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c2ccccc12
InChIInChI=1S/C43H30N2/c1-2-41-44-38-24-11-12-25-40(38)45(41)39-27-26-37(30-17-5-6-18-31(30)39)43-35-21-9-7-19-33(35)42(34-20-8-10-22-36(34)43)32-23-13-15-28-14-3-4-16-29(28)32/h3-27H,2H2,1H3/i1D3,2D2
InChIKeyUNGKJWVLISQNAK-ZBJDZAJPSA-N
MW579.76 g/mol
LogP11.53
Rot. Bonds5

About 1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole

1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole (PubChem CID 169071363) has the molecular formula C43H30N2 and a molecular weight of 579.76 g/mol. Its IUPAC name is 1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole.

Molecular Properties

Compound Name1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole
PubChem CID169071363
Molecular FormulaC43H30N2
Molecular Weight579.76 g/mol
Exact Mass579.27
IUPAC Name1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole
SMILES[2H]C([2H])([2H])C([2H])([2H])c1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c2ccccc12
InChIInChI=1S/C43H30N2/c1-2-41-44-38-24-11-12-25-40(38)45(41)39-27-26-37(30-17-5-6-18-31(30)39)43-35-21-9-7-19-33(35)42(34-20-8-10-22-36(34)43)32-23-13-15-28-14-3-4-16-29(28)32/h3-27H,2H2,1H3/i1D3,2D2
InChIKeyUNGKJWVLISQNAK-ZBJDZAJPSA-N
XLogP11.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.76
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole
CID 169071917
1-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole
CID 169070355
2-(1,1,2,2,2-pentadeuterioethyl)-1-[2-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 169071779
2-(1,1,2,2,2-pentadeuterioethyl)-1-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
CID 169071078
2-(1,1,2,2,2-pentadeuterioethyl)-1-[2-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 169070441
1-(1,2,3,4,5,6,7,8-octadeuterio-10-fluoranthen-3-ylanthracen-9-yl)-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole
CID 169071539
2-(1,1,2,2,2-pentadeuterioethyl)-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole
CID 169071903
2-(1,1,2,2,2-pentadeuterioethyl)-1-[2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]phenyl]benzimidazole
CID 169071540
2-ethyl-1-[2-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]benzimidazole
CID 170235869
2-ethyl-1-[4-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphthalen-1-yl]benzimidazole
CID 169070132
2-ethyl-1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphthalen-1-yl]benzimidazole
CID 169070877
2-ethyl-1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]benzimidazole
CID 169070045

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole?
The IUPAC name of 1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole (CID 169071363) is 1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole.
What is the SMILES notation for 1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole?
The canonical SMILES for 1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole is [2H]C([2H])([2H])C([2H])([2H])c1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c2ccccc12.
What is the InChIKey of 1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole?
The InChIKey is UNGKJWVLISQNAK-ZBJDZAJPSA-N. The full InChI is InChI=1S/C43H30N2/c1-2-41-44-38-24-11-12-25-40(38)45(41)39-27-26-37(30-17-5-6-18-31(30)39)43-35-21-9-7-19-33(35)42(34-20-8-10-22-36(34)43)32-23-13-15-28-14-3-4-16-29(28)32/h3-27H,2H2,1H3/i1D3,2D2.
What are the key properties of 1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole?
1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole has a molecular weight of 579.76 g/mol, XLogP of 11.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole is sourced from PubChem (CID 169071363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).