2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate

C102H69LiN3O- — CID 158120638

About 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate

2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate (PubChem CID 158120638) has the molecular formula C102H69LiN3O- and a molecular weight of 1359.64 g/mol. Its IUPAC name is 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate.

Molecular Properties

• Compound Name: 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate
• PubChem CID: 158120638
• Molecular Formula: C102H69LiN3O-
• Molecular Weight: 1359.64 g/mol
• Exact Mass: 1358.56
• IUPAC Name: 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate
• SMILES: [LiH2-].[O-]c1cccc2ccc[nH+]c12.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)ccc2c1
• InChI: InChI=1S/C53H34N2.C40H26.C9H7NO.Li.2H/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;1-2-12-31-26-32(25-22-27(31)10-1)28-20-23-30(24-21-28)39-35-15-5-7-17-37(35)40(38-18-8-6-16-36(38)39)34-19-9-13-29-11-3-4-14-33(29)34;11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h1-34H;1-26H;1-6,11H;;;/q;;;-1
• InChIKey: NVTIAGXBKMQCFJ-UHFFFAOYSA-N
• XLogP: 25.42
• TPSA: 55.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1359.64
LogP ≤ 5	25.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate?

The IUPAC name of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate (CID 158120638) is 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate.

What is the SMILES notation for 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate?

The canonical SMILES for 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate is [LiH2-].[O-]c1cccc2ccc[nH+]c12.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)ccc2c1.

What is the InChIKey of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate?

The InChIKey is NVTIAGXBKMQCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2.C40H26.C9H7NO.Li.2H/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;1-2-12-31-26-32(25-22-27(31)10-1)28-20-23-30(24-21-28)39-35-15-5-7-17-37(35)40(38-18-8-6-16-36(38)39)34-19-9-13-29-11-3-4-14-33(29)34;11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h1-34H;1-26H;1-6,11H;;;/q;;;-1;;.

What are the key properties of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate?

2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate has a molecular weight of 1359.64 g/mol, XLogP of 25.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;lithium(1-);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;quinolin-1-ium-8-olate is sourced from PubChem (CID 158120638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).