2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole

C42H34N2 — CID 155420229

IUPAC2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole
SMILESCCc1nc2c(n1-c1ccc(-c3c4ccccc4c(Cc4ccc(-c5ccccc5)cc4)c4ccccc34)cc1)C=CCC2
InChIInChI=1S/C42H34N2/c1-2-41-43-39-18-10-11-19-40(39)44(41)33-26-24-32(25-27-33)42-36-16-8-6-14-34(36)38(35-15-7-9-17-37(35)42)28-29-20-22-31(23-21-29)30-12-4-3-5-13-30/h3-9,11-17,19-27H,2,10,18,28H2,1H3
InChIKeyIGFNAPMEWYOGDB-UHFFFAOYSA-N
MW566.75 g/mol
LogP10.63
Rot. Bonds6

About 2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole

2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole (PubChem CID 155420229) has the molecular formula C42H34N2 and a molecular weight of 566.75 g/mol. Its IUPAC name is 2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole
PubChem CID155420229
Molecular FormulaC42H34N2
Molecular Weight566.75 g/mol
Exact Mass566.27
IUPAC Name2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole
SMILESCCc1nc2c(n1-c1ccc(-c3c4ccccc4c(Cc4ccc(-c5ccccc5)cc4)c4ccccc34)cc1)C=CCC2
InChIInChI=1S/C42H34N2/c1-2-41-43-39-18-10-11-19-40(39)44(41)33-26-24-32(25-27-33)42-36-16-8-6-14-34(36)38(35-15-7-9-17-37(35)42)28-29-20-22-31(23-21-29)30-12-4-3-5-13-30/h3-9,11-17,19-27H,2,10,18,28H2,1H3
InChIKeyIGFNAPMEWYOGDB-UHFFFAOYSA-N
XLogP10.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 510.63
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

2-ethyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-4,5-dihydrobenzimidazole
CID 163531879
1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole
CID 170020491
2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole
CID 89265105
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307006
9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole
CID 143423702
2-ethyl-1-[4-(3-phenyl-10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 166042892
3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306773
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
2-ethyl-1-[4-[3-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166042959
CID 174118971
CID 174118971
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole?
The IUPAC name of 2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole (CID 155420229) is 2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole.
What is the SMILES notation for 2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole?
The canonical SMILES for 2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole is CCc1nc2c(n1-c1ccc(-c3c4ccccc4c(Cc4ccc(-c5ccccc5)cc4)c4ccccc34)cc1)C=CCC2.
What is the InChIKey of 2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole?
The InChIKey is IGFNAPMEWYOGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N2/c1-2-41-43-39-18-10-11-19-40(39)44(41)33-26-24-32(25-27-33)42-36-16-8-6-14-34(36)38(35-15-7-9-17-37(35)42)28-29-20-22-31(23-21-29)30-12-4-3-5-13-30/h3-9,11-17,19-27H,2,10,18,28H2,1H3.
What are the key properties of 2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole?
2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole has a molecular weight of 566.75 g/mol, XLogP of 10.63, 6 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)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole is sourced from PubChem (CID 155420229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).