N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C58H49N — CID 155221170

About N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 155221170) has the molecular formula C58H49N and a molecular weight of 760.04 g/mol. Its IUPAC name is N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
• PubChem CID: 155221170
• Molecular Formula: C58H49N
• Molecular Weight: 760.04 g/mol
• Exact Mass: 759.39
• IUPAC Name: N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
• SMILES: Cc1cc(-c2ccc3c(c2)CCCC3)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
• InChI: InChI=1S/C58H49N/c1-38-33-43(42-28-27-40-17-11-12-18-41(40)35-42)34-39(2)56(38)59(46-29-31-50-48-23-13-15-25-52(48)57(3,4)54(50)36-46)47-30-32-51-49-24-14-16-26-53(49)58(55(51)37-47,44-19-7-5-8-20-44)45-21-9-6-10-22-45/h5-10,13-16,19-37H,11-12,17-18H2,1-4H3
• InChIKey: KGGVQDVTAPREHU-UHFFFAOYSA-N
• XLogP: 14.99
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.04
LogP ≤ 5	14.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 155221170) is N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is Cc1cc(-c2ccc3c(c2)CCCC3)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.

What is the InChIKey of N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

The InChIKey is KGGVQDVTAPREHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H49N/c1-38-33-43(42-28-27-40-17-11-12-18-41(40)35-42)34-39(2)56(38)59(46-29-31-50-48-23-13-15-25-52(48)57(3,4)54(50)36-46)47-30-32-51-49-24-14-16-26-53(49)58(55(51)37-47,44-19-7-5-8-20-44)45-21-9-6-10-22-45/h5-10,13-16,19-37H,11-12,17-18H2,1-4H3.

What are the key properties of N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 760.04 g/mol, XLogP of 14.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,6-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155221170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).