N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C79H52N2 — CID 118087830

About N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 118087830) has the molecular formula C79H52N2 and a molecular weight of 1029.30 g/mol. Its IUPAC name is N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 118087830
• Molecular Formula: C79H52N2
• Molecular Weight: 1029.30 g/mol
• Exact Mass: 1028.41
• IUPAC Name: N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
• InChI: InChI=1S/C79H52N2/c1-4-20-53(21-5-1)56-36-41-61(42-37-56)80(63-45-46-70-69-30-14-18-34-75(69)79(76(70)52-63)73-32-16-12-28-67(73)68-29-13-17-33-74(68)79)62-43-38-57(39-44-62)65-26-10-11-27-66(65)58-40-47-78-72(51-58)71-31-15-19-35-77(71)81(78)64-49-59(54-22-6-2-7-23-54)48-60(50-64)55-24-8-3-9-25-55/h1-52H
• InChIKey: JCCCNGALBUGVGV-UHFFFAOYSA-N
• XLogP: 20.93
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.30
LogP ≤ 5	20.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 118087830) is N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.

What is the InChIKey of N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is JCCCNGALBUGVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H52N2/c1-4-20-53(21-5-1)56-36-41-61(42-37-56)80(63-45-46-70-69-30-14-18-34-75(69)79(76(70)52-63)73-32-16-12-28-67(73)68-29-13-17-33-74(68)79)62-43-38-57(39-44-62)65-26-10-11-27-66(65)58-40-47-78-72(51-58)71-31-15-19-35-77(71)81(78)64-49-59(54-22-6-2-7-23-54)48-60(50-64)55-24-8-3-9-25-55/h1-52H.

What are the key properties of N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?

N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1029.30 g/mol, XLogP of 20.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 118087830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).