2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane

C55H40N2O2 — CID 145377181

IUPAC2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane
SMILESCC.c1ccc(N2c3cccc(-c4ccc5ccccc5c4)c3NC2c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C53H34N2O2.C2H6/c1-2-13-41(14-3-1)55-47-18-10-17-42(37-22-21-33-11-4-5-12-34(33)27-37)52(47)54-53(55)40-29-38(35-23-25-50-45(31-35)43-15-6-8-19-48(43)56-50)28-39(30-40)36-24-26-51-46(32-36)44-16-7-9-20-49(44)57-51;1-2/h1-32,53-54H;1-2H3
InChIKeyGQSPDJNHFVHASZ-UHFFFAOYSA-N
MW760.94 g/mol
LogP15.93
Rot. Bonds5

About 2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane

2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane (PubChem CID 145377181) has the molecular formula C55H40N2O2 and a molecular weight of 760.94 g/mol. Its IUPAC name is 2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane.

Molecular Properties

Compound Name2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane
PubChem CID145377181
Molecular FormulaC55H40N2O2
Molecular Weight760.94 g/mol
Exact Mass760.31
IUPAC Name2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane
SMILESCC.c1ccc(N2c3cccc(-c4ccc5ccccc5c4)c3NC2c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C53H34N2O2.C2H6/c1-2-13-41(14-3-1)55-47-18-10-17-42(37-22-21-33-11-4-5-12-34(33)27-37)52(47)54-53(55)40-29-38(35-23-25-50-45(31-35)43-15-6-8-19-48(43)56-50)28-39(30-40)36-24-26-51-46(32-36)44-16-7-9-20-49(44)57-51;1-2/h1-32,53-54H;1-2H3
InChIKeyGQSPDJNHFVHASZ-UHFFFAOYSA-N
XLogP15.93
TPSA41.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.94
LogP ≤ 515.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,8-di(dibenzofuran-2-yl)-9-[4-(4-naphthalen-2-ylphenyl)phenyl]carbazole
CID 154970684
4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171584011
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-2-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583020
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167561515
2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536112
2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran
CID 171585736
N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566167
2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 170942483
9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790
2-dibenzofuran-2-yl-4-(8-naphthalen-2-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176587677
4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171582676
3-dibenzofuran-2-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-3-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 163485111

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane?
The IUPAC name of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane (CID 145377181) is 2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane.
What is the SMILES notation for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane?
The canonical SMILES for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane is CC.c1ccc(N2c3cccc(-c4ccc5ccccc5c4)c3NC2c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)cc1.
What is the InChIKey of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane?
The InChIKey is GQSPDJNHFVHASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2.C2H6/c1-2-13-41(14-3-1)55-47-18-10-17-42(37-22-21-33-11-4-5-12-34(33)27-37)52(47)54-53(55)40-29-38(35-23-25-50-45(31-35)43-15-6-8-19-48(43)56-50)28-39(30-40)36-24-26-51-46(32-36)44-16-7-9-20-49(44)57-51;1-2/h1-32,53-54H;1-2H3.
What are the key properties of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane?
2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane has a molecular weight of 760.94 g/mol, XLogP of 15.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-7-naphthalen-2-yl-3-phenyl-1,2-dihydrobenzimidazole;ethane is sourced from PubChem (CID 145377181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).