9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole

C69H44N2 — CID 146770471

About 9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole

9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole (PubChem CID 146770471) has the molecular formula C69H44N2 and a molecular weight of 901.12 g/mol. Its IUPAC name is 9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole
• PubChem CID: 146770471
• Molecular Formula: C69H44N2
• Molecular Weight: 901.12 g/mol
• Exact Mass: 900.35
• IUPAC Name: 9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole
• SMILES: Cn1c2ccccc2c2cccc(-c3cccc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccc7ccccc7c65)c5cccc(-c6cccc7c8ccccc8n(C)c67)c5cc34)c21
• InChI: InChI=1S/C69H44N2/c1-70-62-36-11-7-21-46(62)53-30-15-28-51(67(53)70)43-24-13-26-48-57(43)40-58-44(52-29-16-31-54-47-22-8-12-37-63(47)71(2)68(52)54)25-14-27-49(58)64(48)56-32-17-35-61-65(56)55-23-6-10-34-60(55)69(61)59-33-9-5-20-45(59)50-39-38-41-18-3-4-19-42(41)66(50)69/h3-40H,1-2H3
• InChIKey: RRNQDPFCPDXJPY-UHFFFAOYSA-N
• XLogP: 17.78
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.12
LogP ≤ 5	17.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole?

The IUPAC name of 9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole (CID 146770471) is 9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole.

What is the SMILES notation for 9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole?

The canonical SMILES for 9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole is Cn1c2ccccc2c2cccc(-c3cccc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccc7ccccc7c65)c5cccc(-c6cccc7c8ccccc8n(C)c67)c5cc34)c21.

What is the InChIKey of 9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole?

The InChIKey is RRNQDPFCPDXJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N2/c1-70-62-36-11-7-21-46(62)53-30-15-28-51(67(53)70)43-24-13-26-48-57(43)40-58-44(52-29-16-31-54-47-22-8-12-37-63(47)71(2)68(52)54)25-14-27-49(58)64(48)56-32-17-35-61-65(56)55-23-6-10-34-60(55)69(61)59-33-9-5-20-45(59)50-39-38-41-18-3-4-19-42(41)66(50)69/h3-40H,1-2H3.

What are the key properties of 9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole?

9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole has a molecular weight of 901.12 g/mol, XLogP of 17.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole is sourced from PubChem (CID 146770471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).