5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile

C55H34N4 — CID 153462509

About 5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile

5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile (PubChem CID 153462509) has the molecular formula C55H34N4 and a molecular weight of 750.91 g/mol. Its IUPAC name is 5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile.

Molecular Properties

• Compound Name: 5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile
• PubChem CID: 153462509
• Molecular Formula: C55H34N4
• Molecular Weight: 750.91 g/mol
• Exact Mass: 750.28
• IUPAC Name: 5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile
• SMILES: [C-]#[N+]c1cc(-n2c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21
• InChI: InChI=1S/C55H34N4/c1-55(2)44-18-10-8-16-40(44)41-24-20-36(29-45(41)55)35-23-25-48-43(28-35)54-39-15-7-5-13-34(39)22-27-50(54)58(48)51-31-46(57-3)52(30-37(51)32-56)59-47-19-11-9-17-42(47)53-38-14-6-4-12-33(38)21-26-49(53)59/h4-31H,1-2H3
• InChIKey: CQIHLIDWNZOHEC-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 38.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.91
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile?

The IUPAC name of 5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile (CID 153462509) is 5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile.

What is the SMILES notation for 5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile?

The canonical SMILES for 5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile is [C-]#[N+]c1cc(-n2c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3c3c4ccccc4ccc32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.

What is the InChIKey of 5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile?

The InChIKey is CQIHLIDWNZOHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4/c1-55(2)44-18-10-8-16-40(44)41-24-20-36(29-45(41)55)35-23-25-48-43(28-35)54-39-15-7-5-13-34(39)22-27-50(54)58(48)51-31-46(57-3)52(30-37(51)32-56)59-47-19-11-9-17-42(47)53-38-14-6-4-12-33(38)21-26-49(53)59/h4-31H,1-2H3.

What are the key properties of 5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile?

5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile has a molecular weight of 750.91 g/mol, XLogP of 14.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzo[c]carbazol-7-yl-2-[10-(9,9-dimethylfluoren-2-yl)benzo[c]carbazol-7-yl]-4-isocyanobenzonitrile is sourced from PubChem (CID 153462509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).