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

C77H50N2 — CID 118087622

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

N-[2-[9-[3-naphthalen-2-yl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 118087622) has the molecular formula C77H50N2 and a molecular weight of 1003.26 g/mol. Its IUPAC name is N-[2-[9-[3-naphthalen-2-yl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: N-[2-[9-[3-naphthalen-2-yl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 118087622
• Molecular Formula: C77H50N2
• Molecular Weight: 1003.26 g/mol
• Exact Mass: 1002.40
• IUPAC Name: N-[2-[9-[3-naphthalen-2-yl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
• SMILES: c1ccc(-c2cccc(-c3cc(-c4ccc5ccccc5c4)cc(-n4c5ccccc5c5cc(-c6ccccc6N(c6ccccc6)c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)ccc54)c3)c2)cc1
• InChI: InChI=1S/C77H50N2/c1-3-20-51(21-4-1)54-24-19-25-55(44-54)58-46-59(56-39-38-52-22-7-8-23-53(52)45-56)48-62(47-58)79-75-37-18-13-32-68(75)69-49-57(40-43-76(69)79)63-28-12-17-36-74(63)78(60-26-5-2-6-27-60)61-41-42-67-66-31-11-16-35-72(66)77(73(67)50-61)70-33-14-9-29-64(70)65-30-10-15-34-71(65)77/h1-50H
• InChIKey: YXQFADFLKBQFAF-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 N-[2-[9-[3-naphthalen-2-yl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of N-[2-[9-[3-naphthalen-2-yl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine (CID 118087622) is N-[2-[9-[3-naphthalen-2-yl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine.

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

The canonical SMILES for N-[2-[9-[3-naphthalen-2-yl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2cccc(-c3cc(-c4ccc5ccccc5c4)cc(-n4c5ccccc5c5cc(-c6ccccc6N(c6ccccc6)c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)ccc54)c3)c2)cc1.

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

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

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

N-[2-[9-[3-naphthalen-2-yl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine 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 N-[2-[9-[3-naphthalen-2-yl-5-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 118087622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).