3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole

C174H109N7 — CID 159572166

IUPAC3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1.c1ccc(-c2nc3cc4ccccc4cc3n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1.c1ccc(-c2nc3ncc4ccccc4c3n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1
InChIInChI=1S/C61H38N2.C57H36N2.C56H35N3/c1-2-16-42(17-3-1)61-62-59-54-24-12-8-20-49(54)50-21-9-13-25-55(50)60(59)63(61)48-33-30-41(31-34-48)45-32-35-53-56(38-45)58(47-29-27-40-15-5-7-19-44(40)37-47)52-23-11-10-22-51(52)57(53)46-28-26-39-14-4-6-18-43(39)36-46;1-2-14-40(15-3-1)57-58-53-35-43-18-8-9-19-44(43)36-54(53)59(57)48-29-26-39(27-30-48)45-28-31-51-52(34-45)56(47-25-23-38-13-5-7-17-42(38)33-47)50-21-11-10-20-49(50)55(51)46-24-22-37-12-4-6-16-41(37)32-46;1-2-14-39(15-3-1)56-58-55-54(47-19-9-8-18-45(47)35-57-55)59(56)46-29-26-38(27-30-46)42-28-31-50-51(34-42)53(44-25-23-37-13-5-7-17-41(37)33-44)49-21-11-10-20-48(49)52(50)43-24-22-36-12-4-6-16-40(36)32-43/h1-38H;1-36H;1-35H
InChIKeyMHYMIIZXGXKQGB-UHFFFAOYSA-N
MW2297.83 g/mol
LogP46.93
Rot. Bonds15

About 3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole

3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole (PubChem CID 159572166) has the molecular formula C174H109N7 and a molecular weight of 2297.83 g/mol. Its IUPAC name is 3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
PubChem CID159572166
Molecular FormulaC174H109N7
Molecular Weight2297.83 g/mol
Exact Mass2295.87
IUPAC Name3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1.c1ccc(-c2nc3cc4ccccc4cc3n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1.c1ccc(-c2nc3ncc4ccccc4c3n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1
InChIInChI=1S/C61H38N2.C57H36N2.C56H35N3/c1-2-16-42(17-3-1)61-62-59-54-24-12-8-20-49(54)50-21-9-13-25-55(50)60(59)63(61)48-33-30-41(31-34-48)45-32-35-53-56(38-45)58(47-29-27-40-15-5-7-19-44(40)37-47)52-23-11-10-22-51(52)57(53)46-28-26-39-14-4-6-18-43(39)36-46;1-2-14-40(15-3-1)57-58-53-35-43-18-8-9-19-44(43)36-54(53)59(57)48-29-26-39(27-30-48)45-28-31-51-52(34-45)56(47-25-23-38-13-5-7-17-42(38)33-47)50-21-11-10-20-49(50)55(51)46-24-22-37-12-4-6-16-41(37)32-46;1-2-14-39(15-3-1)56-58-55-54(47-19-9-8-18-45(47)35-57-55)59(56)46-29-26-38(27-30-46)42-28-31-50-51(34-42)53(44-25-23-37-13-5-7-17-41(37)33-44)49-21-11-10-20-48(49)52(50)43-24-22-36-12-4-6-16-40(36)32-43/h1-38H;1-36H;1-35H
InChIKeyMHYMIIZXGXKQGB-UHFFFAOYSA-N
XLogP46.93
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms181
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002297.83
LogP ≤ 546.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole with MolForge

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Related Compounds

3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 88598678
5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 88598537
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-[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-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
CID 58953775
5-[4-[6-[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 58953757
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 59010716
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
5-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-1,2-diphenylbenzimidazole
CID 130269142
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole?
The IUPAC name of 3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole (CID 159572166) is 3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole.
What is the SMILES notation for 3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole?
The canonical SMILES for 3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole is c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1.c1ccc(-c2nc3cc4ccccc4cc3n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1.c1ccc(-c2nc3ncc4ccccc4c3n2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1.
What is the InChIKey of 3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole?
The InChIKey is MHYMIIZXGXKQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2.C57H36N2.C56H35N3/c1-2-16-42(17-3-1)61-62-59-54-24-12-8-20-49(54)50-21-9-13-25-55(50)60(59)63(61)48-33-30-41(31-34-48)45-32-35-53-56(38-45)58(47-29-27-40-15-5-7-19-44(40)37-47)52-23-11-10-22-51(52)57(53)46-28-26-39-14-4-6-18-43(39)36-46;1-2-14-40(15-3-1)57-58-53-35-43-18-8-9-19-44(43)36-54(53)59(57)48-29-26-39(27-30-48)45-28-31-51-52(34-45)56(47-25-23-38-13-5-7-17-42(38)33-47)50-21-11-10-20-49(50)55(51)46-24-22-37-12-4-6-16-41(37)32-46;1-2-14-39(15-3-1)56-58-55-54(47-19-9-8-18-45(47)35-57-55)59(56)46-29-26-38(27-30-46)42-28-31-50-51(34-42)53(44-25-23-37-13-5-7-17-41(37)33-44)49-21-11-10-20-48(49)52(50)43-24-22-36-12-4-6-16-40(36)32-43/h1-38H;1-36H;1-35H.
What are the key properties of 3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole?
3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole has a molecular weight of 2297.83 g/mol, XLogP of 46.93, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole is sourced from PubChem (CID 159572166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).