2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole

C55H34N2O — CID 170236636

IUPAC2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole
SMILESc1ccc(-c2ccc3c(-c4ccc(-c5nc6ccccc6n5-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4cccc5oc6ccccc6c45)c3c2)cc1
InChIInChI=1S/C55H34N2O/c1-2-13-35(14-3-1)40-30-32-44-47(34-40)53(46-20-12-24-51-54(46)45-19-8-11-23-50(45)58-51)43-18-7-6-17-42(43)52(44)37-25-27-38(28-26-37)55-56-48-21-9-10-22-49(48)57(55)41-31-29-36-15-4-5-16-39(36)33-41/h1-34H
InChIKeyRYZMDYIFZAVWQB-UHFFFAOYSA-N
MW738.89 g/mol
LogP15.05
Rot. Bonds5

About 2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole

2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole (PubChem CID 170236636) has the molecular formula C55H34N2O and a molecular weight of 738.89 g/mol. Its IUPAC name is 2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole.

Molecular Properties

Compound Name2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole
PubChem CID170236636
Molecular FormulaC55H34N2O
Molecular Weight738.89 g/mol
Exact Mass738.27
IUPAC Name2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole
SMILESc1ccc(-c2ccc3c(-c4ccc(-c5nc6ccccc6n5-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4cccc5oc6ccccc6c45)c3c2)cc1
InChIInChI=1S/C55H34N2O/c1-2-13-35(14-3-1)40-30-32-44-47(34-40)53(46-20-12-24-51-54(46)45-19-8-11-23-50(45)58-51)43-18-7-6-17-42(43)52(44)37-25-27-38(28-26-37)55-56-48-21-9-10-22-49(48)57(55)41-31-29-36-15-4-5-16-39(36)33-41/h1-34H
InChIKeyRYZMDYIFZAVWQB-UHFFFAOYSA-N
XLogP15.05
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 170236214
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
1-naphthalen-2-yl-2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylanthracen-9-yl]phenyl]benzimidazole
CID 169072069
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 159805058
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
2-[2-[10-dibenzofuran-1-yl-3-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 169070462
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953744
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
1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole
CID 168827455
2-phenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole
CID 146337803

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole?
The IUPAC name of 2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole (CID 170236636) is 2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole.
What is the SMILES notation for 2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole?
The canonical SMILES for 2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole is c1ccc(-c2ccc3c(-c4ccc(-c5nc6ccccc6n5-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4cccc5oc6ccccc6c45)c3c2)cc1.
What is the InChIKey of 2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole?
The InChIKey is RYZMDYIFZAVWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O/c1-2-13-35(14-3-1)40-30-32-44-47(34-40)53(46-20-12-24-51-54(46)45-19-8-11-23-50(45)58-51)43-18-7-6-17-42(43)52(44)37-25-27-38(28-26-37)55-56-48-21-9-10-22-49(48)57(55)41-31-29-36-15-4-5-16-39(36)33-41/h1-34H.
What are the key properties of 2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole?
2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole has a molecular weight of 738.89 g/mol, XLogP of 15.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(10-dibenzofuran-1-yl-3-phenylanthracen-9-yl)phenyl]-1-naphthalen-2-ylbenzimidazole is sourced from PubChem (CID 170236636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).