N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine

C81H64N2 — CID 90294612

About N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine

N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine (PubChem CID 90294612) has the molecular formula C81H64N2 and a molecular weight of 1065.42 g/mol. Its IUPAC name is N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine.

Molecular Properties

• Compound Name: N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine
• PubChem CID: 90294612
• Molecular Formula: C81H64N2
• Molecular Weight: 1065.42 g/mol
• Exact Mass: 1064.51
• IUPAC Name: N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc4c3-c3ccc(-c5ccccc5)cc3C43c4ccccc4-c4ccccc43)cc2)cc1
• InChI: InChI=1S/C81H64N2/c1-79(2,3)61-37-46-75-69(51-61)70-52-62(80(4,5)6)38-47-76(70)83(75)65-43-34-58(35-44-65)57-32-41-64(42-33-57)82(63-39-30-56(31-40-63)53-20-10-7-11-21-53)77-50-60(55-24-14-9-15-25-55)49-74-78(77)68-45-36-59(54-22-12-8-13-23-54)48-73(68)81(74)71-28-18-16-26-66(71)67-27-17-19-29-72(67)81/h7-52H,1-6H3
• InChIKey: UNOPILXLQWFNTQ-UHFFFAOYSA-N
• XLogP: 21.86
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.42
LogP ≤ 5	21.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine?

The IUPAC name of N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine (CID 90294612) is N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine.

What is the SMILES notation for N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine?

The canonical SMILES for N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc4c3-c3ccc(-c5ccccc5)cc3C43c4ccccc4-c4ccccc43)cc2)cc1.

What is the InChIKey of N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine?

The InChIKey is UNOPILXLQWFNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H64N2/c1-79(2,3)61-37-46-75-69(51-61)70-52-62(80(4,5)6)38-47-76(70)83(75)65-43-34-58(35-44-65)57-32-41-64(42-33-57)82(63-39-30-56(31-40-63)53-20-10-7-11-21-53)77-50-60(55-24-14-9-15-25-55)49-74-78(77)68-45-36-59(54-22-12-8-13-23-54)48-73(68)81(74)71-28-18-16-26-66(71)67-27-17-19-29-72(67)81/h7-52H,1-6H3.

What are the key properties of N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine?

N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine has a molecular weight of 1065.42 g/mol, XLogP of 21.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine is sourced from PubChem (CID 90294612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).