2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium

C176H119N10O4Zr- — CID 158220096

IUPAC2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium
SMILESOc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.[CH2-]Oc1cccc2cccnc12.[Zr].c1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C53H34N2.2C43H28N2.C10H8NO.3C9H7NO.Zr/c1-2-16-44(17-3-1)55-50-21-11-10-20-49(50)54-53(55)38-26-22-37(23-27-38)41-30-31-47-48(34-41)52(43-29-25-36-13-5-7-15-40(36)33-43)46-19-9-8-18-45(46)51(47)42-28-24-35-12-4-6-14-39(35)32-42;1-2-14-34(15-3-1)45-40-21-11-10-20-39(40)44-43(45)31-25-23-30(24-26-31)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-27-22-29-12-4-5-13-32(29)28-33;1-2-13-31(14-3-1)43-44-39-20-10-11-21-40(39)45(43)34-26-24-30(25-27-34)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-23-22-29-12-4-5-15-32(29)28-33;1-12-9-6-2-4-8-5-3-7-11-10(8)9;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-34H;2*1-28H;2-7H,1H2;3*1-6,11H;/q;;;-1;;;;
InChIKeyFNPDZXUWSXXTMP-UHFFFAOYSA-N
MW2529.18 g/mol
LogP45.50
Rot. Bonds14

About 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium

2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium (PubChem CID 158220096) has the molecular formula C176H119N10O4Zr- and a molecular weight of 2529.18 g/mol. Its IUPAC name is 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium.

Molecular Properties

Compound Name2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium
PubChem CID158220096
Molecular FormulaC176H119N10O4Zr-
Molecular Weight2529.18 g/mol
Exact Mass2525.85
IUPAC Name2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium
SMILESOc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.[CH2-]Oc1cccc2cccnc12.[Zr].c1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C53H34N2.2C43H28N2.C10H8NO.3C9H7NO.Zr/c1-2-16-44(17-3-1)55-50-21-11-10-20-49(50)54-53(55)38-26-22-37(23-27-38)41-30-31-47-48(34-41)52(43-29-25-36-13-5-7-15-40(36)33-43)46-19-9-8-18-45(46)51(47)42-28-24-35-12-4-6-14-39(35)32-42;1-2-14-34(15-3-1)45-40-21-11-10-20-39(40)44-43(45)31-25-23-30(24-26-31)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-27-22-29-12-4-5-13-32(29)28-33;1-2-13-31(14-3-1)43-44-39-20-10-11-21-40(39)45(43)34-26-24-30(25-27-34)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-23-22-29-12-4-5-15-32(29)28-33;1-12-9-6-2-4-8-5-3-7-11-10(8)9;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-34H;2*1-28H;2-7H,1H2;3*1-6,11H;/q;;;-1;;;;
InChIKeyFNPDZXUWSXXTMP-UHFFFAOYSA-N
XLogP45.50
TPSA174.94 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002529.18
LogP ≤ 545.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium with MolForge

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Related Compounds

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-[9-naphthalen-2-yl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]benzene-1,3-diol
CID 90380743
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 136502638
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
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-[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
5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 88598537

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium?
The IUPAC name of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium (CID 158220096) is 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium.
What is the SMILES notation for 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium?
The canonical SMILES for 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium is Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.[CH2-]Oc1cccc2cccnc12.[Zr].c1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium?
The InChIKey is FNPDZXUWSXXTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2.2C43H28N2.C10H8NO.3C9H7NO.Zr/c1-2-16-44(17-3-1)55-50-21-11-10-20-49(50)54-53(55)38-26-22-37(23-27-38)41-30-31-47-48(34-41)52(43-29-25-36-13-5-7-15-40(36)33-43)46-19-9-8-18-45(46)51(47)42-28-24-35-12-4-6-14-39(35)32-42;1-2-14-34(15-3-1)45-40-21-11-10-20-39(40)44-43(45)31-25-23-30(24-26-31)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-27-22-29-12-4-5-13-32(29)28-33;1-2-13-31(14-3-1)43-44-39-20-10-11-21-40(39)45(43)34-26-24-30(25-27-34)41-35-16-6-8-18-37(35)42(38-19-9-7-17-36(38)41)33-23-22-29-12-4-5-15-32(29)28-33;1-12-9-6-2-4-8-5-3-7-11-10(8)9;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-34H;2*1-28H;2-7H,1H2;3*1-6,11H;/q;;;-1;;;;.
What are the key properties of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium?
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium has a molecular weight of 2529.18 g/mol, XLogP of 45.50, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methanidyloxyquinoline;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tris(quinolin-8-ol);zirconium is sourced from PubChem (CID 158220096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).