N-[2-(8-cyclohexyl-1,8a-dihydronaphthalen-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]naphthalen-1-amine

C58H49N — CID 170303585

About N-[2-(8-cyclohexyl-1,8a-dihydronaphthalen-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]naphthalen-1-amine

N-[2-(8-cyclohexyl-1,8a-dihydronaphthalen-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]naphthalen-1-amine (PubChem CID 170303585) has the molecular formula C58H49N and a molecular weight of 760.04 g/mol. Its IUPAC name is N-[2-(8-cyclohexyl-1,8a-dihydronaphthalen-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexyl-1,8a-dihydronaphthalen-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]naphthalen-1-amine
• PubChem CID: 170303585
• Molecular Formula: C58H49N
• Molecular Weight: 760.04 g/mol
• Exact Mass: 759.39
• IUPAC Name: N-[2-(8-cyclohexyl-1,8a-dihydronaphthalen-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]naphthalen-1-amine
• SMILES: CC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccccc4C4C=CC=C5C=CC=C(C6CCCCC6)C54)c4cccc5ccccc45)cc3)cccc21
• InChI: InChI=1S/C58H49N/c1-58(44-24-6-3-7-25-44)52-32-12-10-28-51(52)57-48(30-17-33-53(57)58)42-36-38-45(39-37-42)59(54-35-16-21-40-20-8-9-26-46(40)54)55-34-13-11-27-49(55)50-31-15-23-43-22-14-29-47(56(43)50)41-18-4-2-5-19-41/h3,6-17,20-39,41,50,56H,2,4-5,18-19H2,1H3
• InChIKey: IZHFHJJKPDPPJM-UHFFFAOYSA-N
• XLogP: 15.58
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.04
LogP ≤ 5	15.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexyl-1,8a-dihydronaphthalen-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]naphthalen-1-amine?

The IUPAC name of N-[2-(8-cyclohexyl-1,8a-dihydronaphthalen-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]naphthalen-1-amine (CID 170303585) is N-[2-(8-cyclohexyl-1,8a-dihydronaphthalen-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]naphthalen-1-amine.

What is the SMILES notation for N-[2-(8-cyclohexyl-1,8a-dihydronaphthalen-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]naphthalen-1-amine?

The canonical SMILES for N-[2-(8-cyclohexyl-1,8a-dihydronaphthalen-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]naphthalen-1-amine is CC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccccc4C4C=CC=C5C=CC=C(C6CCCCC6)C54)c4cccc5ccccc45)cc3)cccc21.

What is the InChIKey of N-[2-(8-cyclohexyl-1,8a-dihydronaphthalen-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]naphthalen-1-amine?

The InChIKey is IZHFHJJKPDPPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H49N/c1-58(44-24-6-3-7-25-44)52-32-12-10-28-51(52)57-48(30-17-33-53(57)58)42-36-38-45(39-37-42)59(54-35-16-21-40-20-8-9-26-46(40)54)55-34-13-11-27-49(55)50-31-15-23-43-22-14-29-47(56(43)50)41-18-4-2-5-19-41/h3,6-17,20-39,41,50,56H,2,4-5,18-19H2,1H3.

What are the key properties of N-[2-(8-cyclohexyl-1,8a-dihydronaphthalen-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]naphthalen-1-amine?

N-[2-(8-cyclohexyl-1,8a-dihydronaphthalen-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]naphthalen-1-amine has a molecular weight of 760.04 g/mol, XLogP of 15.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-cyclohexyl-1,8a-dihydronaphthalen-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 170303585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).