2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole

C65H38N2O2 — CID 118503477

IUPAC2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7oc8cc9ccccc9cc8c7c6)c6ccccc6c(-c6ccc7oc8cc9ccccc9cc8c7c6)c5c4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C65H38N2O2/c1-2-16-48(17-3-1)67-58-21-11-10-20-57(58)66-65(67)40-24-22-39(23-25-40)45-26-29-51-56(34-45)64(47-28-31-60-53(36-47)55-33-42-13-5-7-15-44(42)38-62(55)69-60)50-19-9-8-18-49(50)63(51)46-27-30-59-52(35-46)54-32-41-12-4-6-14-43(41)37-61(54)68-59/h1-38H
InChIKeyOWUSSFMDMSPAGL-UHFFFAOYSA-N
MW879.03 g/mol
LogP18.11
Rot. Bonds5

About 2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole

2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole (PubChem CID 118503477) has the molecular formula C65H38N2O2 and a molecular weight of 879.03 g/mol. Its IUPAC name is 2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
PubChem CID118503477
Molecular FormulaC65H38N2O2
Molecular Weight879.03 g/mol
Exact Mass878.29
IUPAC Name2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7oc8cc9ccccc9cc8c7c6)c6ccccc6c(-c6ccc7oc8cc9ccccc9cc8c7c6)c5c4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C65H38N2O2/c1-2-16-48(17-3-1)67-58-21-11-10-20-57(58)66-65(67)40-24-22-39(23-25-40)45-26-29-51-56(34-45)64(47-28-31-60-53(36-47)55-33-42-13-5-7-15-44(42)38-62(55)69-60)50-19-9-8-18-49(50)63(51)46-27-30-59-52(35-46)54-32-41-12-4-6-14-43(41)37-61(54)68-59/h1-38H
InChIKeyOWUSSFMDMSPAGL-UHFFFAOYSA-N
XLogP18.11
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.03
LogP ≤ 518.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
2-(2,12-diphenyltetracen-5-yl)-1-phenylbenzimidazole
CID 168827448
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
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole;2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylbenzimidazole
CID 158004452
5-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;2-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 162237267
2-(7-phenyldibenzofuran-2-yl)-1-(3-phenylphenyl)benzimidazole
CID 157379685

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole (CID 118503477) is 2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole is c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7oc8cc9ccccc9cc8c7c6)c6ccccc6c(-c6ccc7oc8cc9ccccc9cc8c7c6)c5c4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole?
The InChIKey is OWUSSFMDMSPAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H38N2O2/c1-2-16-48(17-3-1)67-58-21-11-10-20-57(58)66-65(67)40-24-22-39(23-25-40)45-26-29-51-56(34-45)64(47-28-31-60-53(36-47)55-33-42-13-5-7-15-44(42)38-62(55)69-60)50-19-9-8-18-49(50)63(51)46-27-30-59-52(35-46)54-32-41-12-4-6-14-43(41)37-61(54)68-59/h1-38H.
What are the key properties of 2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole?
2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole has a molecular weight of 879.03 g/mol, XLogP of 18.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 118503477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).