2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole

C41H32N2 — CID 130256441

IUPAC2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(C2=c3ccccc3=C(c3ccc(-c4ccccc4)cc3)C3C=CC=CC23)cc1
InChIInChI=1S/C41H32N2/c1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28/h3-27,33,35H,2H2,1H3
InChIKeyOVGHPAOWLAFHOL-UHFFFAOYSA-N
MW552.72 g/mol
LogP8.02
Rot. Bonds5

About 2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole

2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole (PubChem CID 130256441) has the molecular formula C41H32N2 and a molecular weight of 552.72 g/mol. Its IUPAC name is 2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole
PubChem CID130256441
Molecular FormulaC41H32N2
Molecular Weight552.72 g/mol
Exact Mass552.26
IUPAC Name2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(C2=c3ccccc3=C(c3ccc(-c4ccccc4)cc3)C3C=CC=CC23)cc1
InChIInChI=1S/C41H32N2/c1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28/h3-27,33,35H,2H2,1H3
InChIKeyOVGHPAOWLAFHOL-UHFFFAOYSA-N
XLogP8.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

22-[4-(2-ethylbenzimidazol-1-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475087
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
2-ethyl-1-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 153433793
CID 174118971
CID 174118971
2-ethyl-1-[6-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)naphthalen-2-yl]benzimidazole
CID 166043075
2-ethyl-1-[4-[3-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166042959
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 160637749
2-ethyl-1-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166043047
2-ethyl-1-[4-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]phenyl]benzimidazole
CID 169071344
2-ethyl-1-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 170236015
2-ethyl-1-[4-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]phenyl]benzimidazole
CID 166043163

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole?
The IUPAC name of 2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole (CID 130256441) is 2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole is CCc1nc2ccccc2n1-c1ccc(C2=c3ccccc3=C(c3ccc(-c4ccccc4)cc3)C3C=CC=CC23)cc1.
What is the InChIKey of 2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole?
The InChIKey is OVGHPAOWLAFHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2/c1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28/h3-27,33,35H,2H2,1H3.
What are the key properties of 2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole?
2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole has a molecular weight of 552.72 g/mol, XLogP of 8.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[10-(4-phenylphenyl)-4a,9a-dihydroanthracen-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 130256441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).