1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole

C163H104N6 — CID 159644805

IUPAC1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccc(-c4ccc(-c5nc6ccccc6n5-c5cc6ccccc6c6ccccc56)cc4)cc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5c6ccccc6cc6ccccc56)cc4)ccc23)cc1.c1ccc(-n2c(-c3cccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c3)nc3ccccc32)cc1
InChIInChI=1S/C57H36N2.2C53H34N2/c1-2-16-39(17-3-1)55-48-24-10-11-25-49(48)56(47-26-14-19-38-15-4-6-20-43(38)47)50-34-33-41(35-51(50)55)37-29-31-40(32-30-37)57-58-52-27-12-13-28-53(52)59(57)54-36-42-18-5-7-21-44(42)45-22-8-9-23-46(45)54;1-3-15-36(16-4-1)50-44-23-11-12-24-45(44)51(37-17-5-2-6-18-37)47-34-39(31-32-46(47)50)35-27-29-38(30-28-35)53-54-48-25-13-14-26-49(48)55(53)52-42-21-9-7-19-40(42)33-41-20-8-10-22-43(41)52;1-2-19-44(20-3-1)55-50-24-11-10-23-49(50)54-53(55)43-18-12-17-39(33-43)40-29-30-47-48(34-40)52(42-28-26-36-14-5-7-16-38(36)32-42)46-22-9-8-21-45(46)51(47)41-27-25-35-13-4-6-15-37(35)31-41/h1-36H;2*1-34H
InChIKeyMQUYDQMCGAZCAG-UHFFFAOYSA-N
MW2146.67 g/mol
LogP44.07
Rot. Bonds15

About 1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole

1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole (PubChem CID 159644805) has the molecular formula C163H104N6 and a molecular weight of 2146.67 g/mol. Its IUPAC name is 1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole.

Molecular Properties

Compound Name1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole
PubChem CID159644805
Molecular FormulaC163H104N6
Molecular Weight2146.67 g/mol
Exact Mass2144.83
IUPAC Name1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccc(-c4ccc(-c5nc6ccccc6n5-c5cc6ccccc6c6ccccc56)cc4)cc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5c6ccccc6cc6ccccc56)cc4)ccc23)cc1.c1ccc(-n2c(-c3cccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c3)nc3ccccc32)cc1
InChIInChI=1S/C57H36N2.2C53H34N2/c1-2-16-39(17-3-1)55-48-24-10-11-25-49(48)56(47-26-14-19-38-15-4-6-20-43(38)47)50-34-33-41(35-51(50)55)37-29-31-40(32-30-37)57-58-52-27-12-13-28-53(52)59(57)54-36-42-18-5-7-21-44(42)45-22-8-9-23-46(45)54;1-3-15-36(16-4-1)50-44-23-11-12-24-45(44)51(37-17-5-2-6-18-37)47-34-39(31-32-46(47)50)35-27-29-38(30-28-35)53-54-48-25-13-14-26-49(48)55(53)52-42-21-9-7-19-40(42)33-41-20-8-10-22-43(41)52;1-2-19-44(20-3-1)55-50-24-11-10-23-49(50)54-53(55)43-18-12-17-39(33-43)40-29-30-47-48(34-40)52(42-28-26-36-14-5-7-16-38(36)32-42)46-22-9-8-21-45(46)51(47)41-27-25-35-13-4-6-15-37(35)31-41/h1-36H;2*1-34H
InChIKeyMQUYDQMCGAZCAG-UHFFFAOYSA-N
XLogP44.07
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002146.67
LogP ≤ 544.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole with MolForge

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Related Compounds

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-[6-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]naphthalen-2-yl]-1-naphthalen-1-ylbenzimidazole;2-[6-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]naphthalen-2-yl]-1-(4-phenylphenyl)benzimidazole;2-[3-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)benzimidazole;2-[4-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]phenyl]-1-(4-phenylphenyl)benzimidazole
CID 160943887
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
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate
CID 158120638
1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 59412495
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole
CID 118604213

Frequently Asked Questions

What is the IUPAC name of 1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole?
The IUPAC name of 1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole (CID 159644805) is 1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole.
What is the SMILES notation for 1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole?
The canonical SMILES for 1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole is c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccc(-c4ccc(-c5nc6ccccc6n5-c5cc6ccccc6c6ccccc56)cc4)cc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5c6ccccc6cc6ccccc56)cc4)ccc23)cc1.c1ccc(-n2c(-c3cccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c3)nc3ccccc32)cc1.
What is the InChIKey of 1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole?
The InChIKey is MQUYDQMCGAZCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2.2C53H34N2/c1-2-16-39(17-3-1)55-48-24-10-11-25-49(48)56(47-26-14-19-38-15-4-6-20-43(38)47)50-34-33-41(35-51(50)55)37-29-31-40(32-30-37)57-58-52-27-12-13-28-53(52)59(57)54-36-42-18-5-7-21-44(42)45-22-8-9-23-46(45)54;1-3-15-36(16-4-1)50-44-23-11-12-24-45(44)51(37-17-5-2-6-18-37)47-34-39(31-32-46(47)50)35-27-29-38(30-28-35)53-54-48-25-13-14-26-49(48)55(53)52-42-21-9-7-19-40(42)33-41-20-8-10-22-43(41)52;1-2-19-44(20-3-1)55-50-24-11-10-23-49(50)54-53(55)43-18-12-17-39(33-43)40-29-30-47-48(34-40)52(42-28-26-36-14-5-7-16-38(36)32-42)46-22-9-8-21-45(46)51(47)41-27-25-35-13-4-6-15-37(35)31-41/h1-36H;2*1-34H.
What are the key properties of 1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole?
1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole has a molecular weight of 2146.67 g/mol, XLogP of 44.07, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-yl-2-[4-(9,10-diphenylanthracen-2-yl)phenyl]benzimidazole;2-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)phenyl]-1-phenanthren-9-ylbenzimidazole is sourced from PubChem (CID 159644805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).