beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole

C181H116BeN12O2S2 — CID 157058323

About beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole

beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 157058323) has the molecular formula C181H116BeN12O2S2 and a molecular weight of 2564.15 g/mol. Its IUPAC name is beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

• Compound Name: beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
• PubChem CID: 157058323
• Molecular Formula: C181H116BeN12O2S2
• Molecular Weight: 2564.15 g/mol
• Exact Mass: 2561.89
• IUPAC Name: beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
• SMILES: [Be+2].[O-]c1ccccc1-c1nc2ccccc2s1.[O-]c1ccccc1-c1nc2ccccc2s1.c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c4ccccc34)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1
• InChI: InChI=1S/C57H36N2.C53H34N2.C45H30N6.2C13H9NOS.Be/c1-2-18-44(19-3-1)59-54-25-13-12-24-53(54)58-57(59)51-33-32-45(46-20-8-9-21-47(46)51)41-30-31-50-52(36-41)56(43-29-27-38-15-5-7-17-40(38)35-43)49-23-11-10-22-48(49)55(50)42-28-26-37-14-4-6-16-39(37)34-42;1-2-16-44(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;1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h1-36H;1-34H;1-30H;2*1-8,15H;/q;;;;;+2/p-2
• InChIKey: ABABFEDPQAPTID-UHFFFAOYSA-L
• XLogP: 46.16
• TPSA: 161.00 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2564.15
LogP ≤ 5	46.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole?

The IUPAC name of beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole (CID 157058323) is beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole.

What is the SMILES notation for beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole?

The canonical SMILES for beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole is [Be+2].[O-]c1ccccc1-c1nc2ccccc2s1.[O-]c1ccccc1-c1nc2ccccc2s1.c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)c4ccccc34)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1.

What is the InChIKey of beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole?

The InChIKey is ABABFEDPQAPTID-UHFFFAOYSA-L. The full InChI is InChI=1S/C57H36N2.C53H34N2.C45H30N6.2C13H9NOS.Be/c1-2-18-44(19-3-1)59-54-25-13-12-24-53(54)58-57(59)51-33-32-45(46-20-8-9-21-47(46)51)41-30-31-50-52(36-41)56(43-29-27-38-15-5-7-17-40(38)35-43)49-23-11-10-22-48(49)55(50)42-28-26-37-14-4-6-16-39(37)34-42;1-2-16-44(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;1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h1-36H;1-34H;1-30H;2*1-8,15H;/q;;;;;+2/p-2.

What are the key properties of beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole?

beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 2564.15 g/mol, XLogP of 46.16, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 157058323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).