9,9-bis(3-tert-butylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]fluoren-2-amine

C80H69N — CID 170215671

About 9,9-bis(3-tert-butylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]fluoren-2-amine

9,9-bis(3-tert-butylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]fluoren-2-amine (PubChem CID 170215671) has the molecular formula C80H69N and a molecular weight of 1044.44 g/mol. Its IUPAC name is 9,9-bis(3-tert-butylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-bis(3-tert-butylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]fluoren-2-amine
• PubChem CID: 170215671
• Molecular Formula: C80H69N
• Molecular Weight: 1044.44 g/mol
• Exact Mass: 1043.54
• IUPAC Name: 9,9-bis(3-tert-butylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]fluoren-2-amine
• SMILES: CC(C)(C)c1cccc(C2(c3cccc(C(C)(C)C)c3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)cc32)c1
• InChI: InChI=1S/C80H69N/c1-76(2,3)56-24-19-26-58(49-56)80(59-27-20-25-57(50-59)77(4,5)6)72-35-18-15-29-65(72)68-47-45-62(51-74(68)80)81(61-43-38-53(39-44-61)63-31-21-32-69-66-30-13-16-33-70(66)78(7,8)75(63)69)60-41-36-52(37-42-60)54-40-46-67-64-28-14-17-34-71(64)79(9,73(67)48-54)55-22-11-10-12-23-55/h10-51H,1-9H3
• InChIKey: AQMUSAKVBAFUOW-UHFFFAOYSA-N
• XLogP: 21.09
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1044.44
LogP ≤ 5	21.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 9,9-bis(3-tert-butylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]fluoren-2-amine (CID 170215671) is 9,9-bis(3-tert-butylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]fluoren-2-amine.

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

The canonical SMILES for 9,9-bis(3-tert-butylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]fluoren-2-amine is CC(C)(C)c1cccc(C2(c3cccc(C(C)(C)C)c3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)cc32)c1.

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

The InChIKey is AQMUSAKVBAFUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H69N/c1-76(2,3)56-24-19-26-58(49-56)80(59-27-20-25-57(50-59)77(4,5)6)72-35-18-15-29-65(72)68-47-45-62(51-74(68)80)81(61-43-38-53(39-44-61)63-31-21-32-69-66-30-13-16-33-70(66)78(7,8)75(63)69)60-41-36-52(37-42-60)54-40-46-67-64-28-14-17-34-71(64)79(9,73(67)48-54)55-22-11-10-12-23-55/h10-51H,1-9H3.

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

9,9-bis(3-tert-butylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]fluoren-2-amine has a molecular weight of 1044.44 g/mol, XLogP of 21.09, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-bis(3-tert-butylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170215671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).