N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine

C65H50N2 — CID 170304430

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine (PubChem CID 170304430) has the molecular formula C65H50N2 and a molecular weight of 859.13 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
• PubChem CID: 170304430
• Molecular Formula: C65H50N2
• Molecular Weight: 859.13 g/mol
• Exact Mass: 858.40
• IUPAC Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
• SMILES: c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)ccc32)cc1
• InChI: InChI=1S/C65H50N2/c1-5-21-45(22-6-1)52-34-19-23-46-24-20-35-57(64(46)52)55-32-14-17-37-61(55)66(50-40-42-63-58(43-50)56-33-15-18-38-62(56)67(63)49-29-11-4-12-30-49)51-39-41-54-53-31-13-16-36-59(53)65(60(54)44-51,47-25-7-2-8-26-47)48-27-9-3-10-28-48/h2-4,7-20,23-45H,1,5-6,21-22H2
• InChIKey: MYZFPQOCEFHSQU-UHFFFAOYSA-N
• XLogP: 17.48
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.13
LogP ≤ 5	17.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine?

The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine (CID 170304430) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine.

What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine?

The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)ccc32)cc1.

What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine?

The InChIKey is MYZFPQOCEFHSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N2/c1-5-21-45(22-6-1)52-34-19-23-46-24-20-35-57(64(46)52)55-32-14-17-37-61(55)66(50-40-42-63-58(43-50)56-33-15-18-38-62(56)67(63)49-29-11-4-12-30-49)51-39-41-54-53-31-13-16-36-59(53)65(60(54)44-51,47-25-7-2-8-26-47)48-27-9-3-10-28-48/h2-4,7-20,23-45H,1,5-6,21-22H2.

What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine?

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine has a molecular weight of 859.13 g/mol, XLogP of 17.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 170304430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).