1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole

C71H46N4 — CID 155334148

About 1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole

1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole (PubChem CID 155334148) has the molecular formula C71H46N4 and a molecular weight of 955.18 g/mol. Its IUPAC name is 1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole.

Molecular Properties

• Compound Name: 1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole
• PubChem CID: 155334148
• Molecular Formula: C71H46N4
• Molecular Weight: 955.18 g/mol
• Exact Mass: 954.37
• IUPAC Name: 1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole
• SMILES: Cn1c(-c2ccccc2)nc2ccc(-c3cccc4c(-c5cc6ccccc6c6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5cccc(-c6ccc7nc(-c8ccccc8)n(C)c7c6)c5cc34)cc21
• InChI: InChI=1S/C71H46N4/c1-74-64-40-46(35-37-62(64)72-69(74)43-19-5-3-6-20-43)48-28-17-30-53-56(48)42-57-49(47-36-38-63-65(41-47)75(2)70(73-63)44-21-7-4-8-22-44)29-18-31-54(57)66(53)58-39-45-23-9-10-24-50(45)67-55-27-13-16-34-61(55)71(68(58)67)59-32-14-11-25-51(59)52-26-12-15-33-60(52)71/h3-42H,1-2H3
• InChIKey: SCGJFEFIWSDYEP-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.18
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole?

The IUPAC name of 1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole (CID 155334148) is 1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole.

What is the SMILES notation for 1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole?

The canonical SMILES for 1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole is Cn1c(-c2ccccc2)nc2ccc(-c3cccc4c(-c5cc6ccccc6c6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5cccc(-c6ccc7nc(-c8ccccc8)n(C)c7c6)c5cc34)cc21.

What is the InChIKey of 1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole?

The InChIKey is SCGJFEFIWSDYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N4/c1-74-64-40-46(35-37-62(64)72-69(74)43-19-5-3-6-20-43)48-28-17-30-53-56(48)42-57-49(47-36-38-63-65(41-47)75(2)70(73-63)44-21-7-4-8-22-44)29-18-31-54(57)66(53)58-39-45-23-9-10-24-50(45)67-55-27-13-16-34-61(55)71(68(58)67)59-32-14-11-25-51(59)52-26-12-15-33-60(52)71/h3-42H,1-2H3.

What are the key properties of 1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole?

1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole has a molecular weight of 955.18 g/mol, XLogP of 17.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-2-phenylbenzimidazole is sourced from PubChem (CID 155334148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).