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

C69H60N2 — CID 170304052

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

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazol-4-amine (PubChem CID 170304052) has the molecular formula C69H60N2 and a molecular weight of 917.25 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazol-4-amine.

Molecular Properties

• Compound Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazol-4-amine
• PubChem CID: 170304052
• Molecular Formula: C69H60N2
• Molecular Weight: 917.25 g/mol
• Exact Mass: 916.48
• IUPAC Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazol-4-amine
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)c4cccc5c4c4ccccc4n5-c4ccccc4)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C69H60N2/c1-67(2,3)49-41-48(42-50(44-49)68(4,5)6)53-28-18-21-46-22-19-29-57(65(46)53)56-26-13-16-31-61(56)71(64-34-20-33-63-66(64)58-27-14-17-32-62(58)70(63)51-23-10-9-11-24-51)52-38-35-45(36-39-52)47-37-40-55-54-25-12-15-30-59(54)69(7,8)60(55)43-47/h9-44H,1-8H3
• InChIKey: QRBTZSCAKZLJHM-UHFFFAOYSA-N
• XLogP: 19.31
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.25
LogP ≤ 5	19.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazol-4-amine (CID 170304052) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazol-4-amine.

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

The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazol-4-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)c4cccc5c4c4ccccc4n5-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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazol-4-amine?

The InChIKey is QRBTZSCAKZLJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H60N2/c1-67(2,3)49-41-48(42-50(44-49)68(4,5)6)53-28-18-21-46-22-19-29-57(65(46)53)56-26-13-16-31-61(56)71(64-34-20-33-63-66(64)58-27-14-17-32-62(58)70(63)51-23-10-9-11-24-51)52-38-35-45(36-39-52)47-37-40-55-54-25-12-15-30-59(54)69(7,8)60(55)43-47/h9-44H,1-8H3.

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

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazol-4-amine has a molecular weight of 917.25 g/mol, XLogP of 19.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazol-4-amine is sourced from PubChem (CID 170304052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).