N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine

C75H63N — CID 170303969

About N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine (PubChem CID 170303969) has the molecular formula C75H63N and a molecular weight of 978.34 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine.

Molecular Properties

• Compound Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine
• PubChem CID: 170303969
• Molecular Formula: C75H63N
• Molecular Weight: 978.34 g/mol
• Exact Mass: 977.50
• IUPAC Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc5c4-c4ccccc4C5(C)c4ccccc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C75H63N/c1-72(2,3)55-47-51(48-56(49-55)73(4,5)6)57-38-23-27-50-28-24-39-59(69(50)57)58-35-19-22-44-66(58)76(67-45-25-42-64-70(67)60-36-17-20-40-62(60)74(64,7)52-29-11-8-12-30-52)68-46-26-43-65-71(68)61-37-18-21-41-63(61)75(65,53-31-13-9-14-32-53)54-33-15-10-16-34-54/h8-49H,1-7H3
• InChIKey: YWQIZYBVILDTKI-UHFFFAOYSA-N
• XLogP: 19.94
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	978.34
LogP ≤ 5	19.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine?

The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine (CID 170303969) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine.

What is the SMILES notation for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine?

The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc5c4-c4ccccc4C5(C)c4ccccc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)cc(C(C)(C)C)c1.

What is the InChIKey of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine?

The InChIKey is YWQIZYBVILDTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H63N/c1-72(2,3)55-47-51(48-56(49-55)73(4,5)6)57-38-23-27-50-28-24-39-59(69(50)57)58-35-19-22-44-66(58)76(67-45-25-42-64-70(67)60-36-17-20-40-62(60)74(64,7)52-29-11-8-12-30-52)68-46-26-43-65-71(68)61-37-18-21-41-63(61)75(65,53-31-13-9-14-32-53)54-33-15-10-16-34-54/h8-49H,1-7H3.

What are the key properties of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine?

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine has a molecular weight of 978.34 g/mol, XLogP of 19.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-4-amine is sourced from PubChem (CID 170303969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).