7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine

C77H70N2 — CID 144690426

About 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine

7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine (PubChem CID 144690426) has the molecular formula C77H70N2 and a molecular weight of 1023.42 g/mol. Its IUPAC name is 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
• PubChem CID: 144690426
• Molecular Formula: C77H70N2
• Molecular Weight: 1023.42 g/mol
• Exact Mass: 1022.55
• IUPAC Name: 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
• SMILES: C=Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C=C)cc4)ccc2n3-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(N(c4ccccc4-c4ccccc4)c4ccccc4-c4ccccc4)ccc2-3)cc1
• InChI: InChI=1S/C77H70N2/c1-5-9-11-23-49-77(50-24-12-10-6-2)71-53-63(78(73-31-21-19-29-65(73)59-25-15-13-16-26-59)74-32-22-20-30-66(74)60-27-17-14-18-28-60)43-45-67(71)68-46-44-64(54-72(68)77)79-75-47-41-61(57-37-33-55(7-3)34-38-57)51-69(75)70-52-62(42-48-76(70)79)58-39-35-56(8-4)36-40-58/h7-8,13-22,25-48,51-54H,3-6,9-12,23-24,49-50H2,1-2H3
• InChIKey: HGCAKHINCDJNDA-UHFFFAOYSA-N
• XLogP: 22.41
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 20
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.42
LogP ≤ 5	22.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine?

The IUPAC name of 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine (CID 144690426) is 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine is C=Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C=C)cc4)ccc2n3-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(N(c4ccccc4-c4ccccc4)c4ccccc4-c4ccccc4)ccc2-3)cc1.

What is the InChIKey of 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine?

The InChIKey is HGCAKHINCDJNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H70N2/c1-5-9-11-23-49-77(50-24-12-10-6-2)71-53-63(78(73-31-21-19-29-65(73)59-25-15-13-16-26-59)74-32-22-20-30-66(74)60-27-17-14-18-28-60)43-45-67(71)68-46-44-64(54-72(68)77)79-75-47-41-61(57-37-33-55(7-3)34-38-57)51-69(75)70-52-62(42-48-76(70)79)58-39-35-56(8-4)36-40-58/h7-8,13-22,25-48,51-54H,3-6,9-12,23-24,49-50H2,1-2H3.

What are the key properties of 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine?

7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine has a molecular weight of 1023.42 g/mol, XLogP of 22.41, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 144690426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).