N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine

C72H57N — CID 168802481

About N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine

N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine (PubChem CID 168802481) has the molecular formula C72H57N and a molecular weight of 936.25 g/mol. Its IUPAC name is N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine.

Molecular Properties

• Compound Name: N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
• PubChem CID: 168802481
• Molecular Formula: C72H57N
• Molecular Weight: 936.25 g/mol
• Exact Mass: 935.45
• IUPAC Name: N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
• SMILES: CC(C)(C)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc5ccccc5c4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cc2)cc1
• InChI: InChI=1S/C72H57N/c1-70(2,3)53-40-35-50(36-41-53)48-31-33-49(34-32-48)51-37-42-56(43-38-51)73(57-44-45-66-63(47-57)60-26-15-17-30-65(60)72(66,54-20-8-6-9-21-54)55-22-10-7-11-23-55)67-46-39-52-19-12-13-24-58(52)68(67)62-28-18-27-61-59-25-14-16-29-64(59)71(4,5)69(61)62/h6-47H,1-5H3
• InChIKey: NQTGPKBNLKUZMR-UHFFFAOYSA-N
• XLogP: 19.28
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.25
LogP ≤ 5	19.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?

The IUPAC name of N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine (CID 168802481) is N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine.

What is the SMILES notation for N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?

The canonical SMILES for N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine is CC(C)(C)c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc5ccccc5c4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cc2)cc1.

What is the InChIKey of N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?

The InChIKey is NQTGPKBNLKUZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H57N/c1-70(2,3)53-40-35-50(36-41-53)48-31-33-49(34-32-48)51-37-42-56(43-38-51)73(57-44-45-66-63(47-57)60-26-15-17-30-65(60)72(66,54-20-8-6-9-21-54)55-22-10-7-11-23-55)67-46-39-52-19-12-13-24-58(52)68(67)62-28-18-27-61-59-25-14-16-29-64(59)71(4,5)69(61)62/h6-47H,1-5H3.

What are the key properties of N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?

N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine has a molecular weight of 936.25 g/mol, XLogP of 19.28, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 168802481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).