2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methoxyquinoline;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

C176H120N10O4Zr — CID 158018070

IUPAC2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methoxyquinoline;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
SMILESCOc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.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.C10H9NO.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,1H3;3*1-6,11H;
InChIKeyHSVLIPLTHGEYJG-UHFFFAOYSA-N
MW2530.19 g/mol
LogP45.34
Rot. Bonds14

About 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methoxyquinoline;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-methoxyquinoline;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 158018070) has the molecular formula C176H120N10O4Zr and a molecular weight of 2530.19 g/mol. Its IUPAC name is 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methoxyquinoline;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-methoxyquinoline;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 CID158018070
Molecular FormulaC176H120N10O4Zr
Molecular Weight2530.19 g/mol
Exact Mass2526.85
IUPAC Name2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methoxyquinoline;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
SMILESCOc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.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.C10H9NO.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,1H3;3*1-6,11H;
InChIKeyHSVLIPLTHGEYJG-UHFFFAOYSA-N
XLogP45.34
TPSA174.94 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002530.19
LogP ≤ 545.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methoxyquinoline;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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methoxyquinoline;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-methoxyquinoline;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 158018070) is 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methoxyquinoline;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-methoxyquinoline;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-methoxyquinoline;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 COc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.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-methoxyquinoline;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 HSVLIPLTHGEYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2.2C43H28N2.C10H9NO.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,1H3;3*1-6,11H;.
What are the key properties of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;8-methoxyquinoline;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-methoxyquinoline;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 2530.19 g/mol, XLogP of 45.34, 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-methoxyquinoline;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 158018070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).