beryllium;lithium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[(4-methylphenyl)iminomethyl]phenolate;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tetrakis(quinolin-8-ol);zirconium

C119H84BeLiN9O7S2Zr — CID 159419701

About beryllium;lithium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[(4-methylphenyl)iminomethyl]phenolate;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tetrakis(quinolin-8-ol);zirconium

beryllium;lithium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[(4-methylphenyl)iminomethyl]phenolate;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tetrakis(quinolin-8-ol);zirconium (PubChem CID 159419701) has the molecular formula C119H84BeLiN9O7S2Zr and a molecular weight of 1923.35 g/mol. Its IUPAC name is beryllium;lithium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[(4-methylphenyl)iminomethyl]phenolate;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tetrakis(quinolin-8-ol);zirconium.

Molecular Properties

• Compound Name: beryllium;lithium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[(4-methylphenyl)iminomethyl]phenolate;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tetrakis(quinolin-8-ol);zirconium
• PubChem CID: 159419701
• Molecular Formula: C119H84BeLiN9O7S2Zr
• Molecular Weight: 1923.35 g/mol
• Exact Mass: 1920.53
• IUPAC Name: beryllium;lithium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[(4-methylphenyl)iminomethyl]phenolate;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tetrakis(quinolin-8-ol);zirconium
• SMILES: Cc1ccc(/N=C/c2ccccc2[O-])cc1.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.[Be+2].[Li+].[O-]c1ccccc1-c1nc2ccccc2s1.[O-]c1ccccc1-c1nc2ccccc2s1.[Zr].c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)nc3ccccc32)cc1
• InChI: InChI=1S/C43H28N2.C14H13NO.2C13H9NOS.4C9H7NO.Be.Li.Zr/c1-2-14-34(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;1-11-6-8-13(9-7-11)15-10-12-4-2-3-5-14(12)16;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;4*11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h1-28H;2-10,16H,1H3;2*1-8,15H;4*1-6,11H;;;/q;;;;;;;;+2;+1;/p-3/b;15-10+
• InChIKey: FSIAFKDWQHWTTD-YAGPCFNASA-K
• XLogP: 24.76
• TPSA: 257.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1923.35
LogP ≤ 5	24.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of beryllium;lithium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[(4-methylphenyl)iminomethyl]phenolate;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tetrakis(quinolin-8-ol);zirconium?

The IUPAC name of beryllium;lithium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[(4-methylphenyl)iminomethyl]phenolate;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tetrakis(quinolin-8-ol);zirconium (CID 159419701) is beryllium;lithium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[(4-methylphenyl)iminomethyl]phenolate;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tetrakis(quinolin-8-ol);zirconium.

What is the SMILES notation for beryllium;lithium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[(4-methylphenyl)iminomethyl]phenolate;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tetrakis(quinolin-8-ol);zirconium?

The canonical SMILES for beryllium;lithium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[(4-methylphenyl)iminomethyl]phenolate;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tetrakis(quinolin-8-ol);zirconium is Cc1ccc(/N=C/c2ccccc2[O-])cc1.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.[Be+2].[Li+].[O-]c1ccccc1-c1nc2ccccc2s1.[O-]c1ccccc1-c1nc2ccccc2s1.[Zr].c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)nc3ccccc32)cc1.

What is the InChIKey of beryllium;lithium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[(4-methylphenyl)iminomethyl]phenolate;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tetrakis(quinolin-8-ol);zirconium?

The InChIKey is FSIAFKDWQHWTTD-YAGPCFNASA-K. The full InChI is InChI=1S/C43H28N2.C14H13NO.2C13H9NOS.4C9H7NO.Be.Li.Zr/c1-2-14-34(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;1-11-6-8-13(9-7-11)15-10-12-4-2-3-5-14(12)16;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;4*11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h1-28H;2-10,16H,1H3;2*1-8,15H;4*1-6,11H;;;/q;;;;;;;;+2;+1;/p-3/b;15-10+;;;;;;;;;.

What are the key properties of beryllium;lithium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[(4-methylphenyl)iminomethyl]phenolate;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tetrakis(quinolin-8-ol);zirconium?

beryllium;lithium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[(4-methylphenyl)iminomethyl]phenolate;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tetrakis(quinolin-8-ol);zirconium has a molecular weight of 1923.35 g/mol, XLogP of 24.76, 8 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for beryllium;lithium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[(4-methylphenyl)iminomethyl]phenolate;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole;tetrakis(quinolin-8-ol);zirconium is sourced from PubChem (CID 159419701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).