4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline

C77H50N2 — CID 167322620

About 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline

4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline (PubChem CID 167322620) has the molecular formula C77H50N2 and a molecular weight of 1003.26 g/mol. Its IUPAC name is 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
• PubChem CID: 167322620
• Molecular Formula: C77H50N2
• Molecular Weight: 1003.26 g/mol
• Exact Mass: 1002.40
• IUPAC Name: 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
• SMILES: c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cc2)c1
• InChI: InChI=1S/C77H50N2/c1-2-18-61-54(16-1)17-15-25-62(61)55-40-47-60(48-41-55)78(58-43-36-52(37-44-58)51-32-34-56(35-33-51)63-19-6-12-29-74(63)79-75-30-13-7-23-68(75)69-24-8-14-31-76(69)79)59-45-38-53(39-46-59)57-42-49-67-66-22-5-11-28-72(66)77(73(67)50-57)70-26-9-3-20-64(70)65-21-4-10-27-71(65)77/h1-50H
• InChIKey: LRYFWNFUYHBQLW-UHFFFAOYSA-N
• XLogP: 20.42
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.26
LogP ≤ 5	20.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?

The IUPAC name of 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline (CID 167322620) is 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline.

What is the SMILES notation for 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?

The canonical SMILES for 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cc2)c1.

What is the InChIKey of 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?

The InChIKey is LRYFWNFUYHBQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H50N2/c1-2-18-61-54(16-1)17-15-25-62(61)55-40-47-60(48-41-55)78(58-43-36-52(37-44-58)51-32-34-56(35-33-51)63-19-6-12-29-74(63)79-75-30-13-7-23-68(75)69-24-8-14-31-76(69)79)59-45-38-53(39-46-59)57-42-49-67-66-22-5-11-28-72(66)77(73(67)50-57)70-26-9-3-20-64(70)65-21-4-10-27-71(65)77/h1-50H.

What are the key properties of 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?

4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline has a molecular weight of 1003.26 g/mol, XLogP of 20.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline is sourced from PubChem (CID 167322620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).