N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C66H60N2 — CID 143493158

About N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 143493158) has the molecular formula C66H60N2 and a molecular weight of 881.22 g/mol. Its IUPAC name is N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
• PubChem CID: 143493158
• Molecular Formula: C66H60N2
• Molecular Weight: 881.22 g/mol
• Exact Mass: 880.48
• IUPAC Name: N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
• SMILES: CC(C)(c1ccc(C(C)(C)c2cccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1)c1cccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1
• InChI: InChI=1S/C66H60N2/c1-63(2,47-21-19-27-51(41-47)67(49-23-11-9-12-24-49)53-37-39-57-55-29-15-17-31-59(55)65(5,6)61(57)43-53)45-33-35-46(36-34-45)64(3,4)48-22-20-28-52(42-48)68(50-25-13-10-14-26-50)54-38-40-58-56-30-16-18-32-60(56)66(7,8)62(58)44-54/h9-44H,1-8H3
• InChIKey: OVFUONRZMTTZKD-UHFFFAOYSA-N
• XLogP: 17.89
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.22
LogP ≤ 5	17.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The IUPAC name of N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 143493158) is N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

What is the SMILES notation for N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The canonical SMILES for N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC(C)(c1ccc(C(C)(C)c2cccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)cc1)c1cccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1.

What is the InChIKey of N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The InChIKey is OVFUONRZMTTZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H60N2/c1-63(2,47-21-19-27-51(41-47)67(49-23-11-9-12-24-49)53-37-39-57-55-29-15-17-31-59(55)65(5,6)61(57)43-53)45-33-35-46(36-34-45)64(3,4)48-22-20-28-52(42-48)68(50-25-13-10-14-26-50)54-38-40-58-56-30-16-18-32-60(56)66(7,8)62(58)44-54/h9-44H,1-8H3.

What are the key properties of N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 881.22 g/mol, XLogP of 17.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 143493158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).