N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine

C61H50N2 — CID 170304378

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine (PubChem CID 170304378) has the molecular formula C61H50N2 and a molecular weight of 811.09 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
• PubChem CID: 170304378
• Molecular Formula: C61H50N2
• Molecular Weight: 811.09 g/mol
• Exact Mass: 810.40
• IUPAC Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
• InChI: InChI=1S/C61H50N2/c1-61(2)52-32-13-9-29-50(52)60-53(61)33-19-37-58(60)63(56-36-16-11-27-47(56)49-31-18-23-42-22-17-30-46(59(42)49)41-20-5-3-6-21-41)54-34-14-10-26-45(54)43-38-39-57-51(40-43)48-28-12-15-35-55(48)62(57)44-24-7-4-8-25-44/h4,7-19,22-41H,3,5-6,20-21H2,1-2H3
• InChIKey: QUBUYJJGYIWBCO-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.09
LogP ≤ 5	17.09
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]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine?

The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine (CID 170304378) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine.

What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine?

The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21.

What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine?

The InChIKey is QUBUYJJGYIWBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H50N2/c1-61(2)52-32-13-9-29-50(52)60-53(61)33-19-37-58(60)63(56-36-16-11-27-47(56)49-31-18-23-42-22-17-30-46(59(42)49)41-20-5-3-6-21-41)54-34-14-10-26-45(54)43-38-39-57-51(40-43)48-28-12-15-35-55(48)62(57)44-24-7-4-8-25-44/h4,7-19,22-41H,3,5-6,20-21H2,1-2H3.

What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine?

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine has a molecular weight of 811.09 g/mol, XLogP of 17.09, 7 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]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine is sourced from PubChem (CID 170304378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).