N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C63H53NO — CID 154985541

About N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 154985541) has the molecular formula C63H53NO and a molecular weight of 840.12 g/mol. Its IUPAC name is N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 154985541
• Molecular Formula: C63H53NO
• Molecular Weight: 840.12 g/mol
• Exact Mass: 839.41
• IUPAC Name: N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CCC(C)c1ccc(Oc2ccc(C3(c4ccc(C)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc43)cc2)cc1
• InChI: InChI=1S/C63H53NO/c1-6-43(3)44-24-34-52(35-25-44)65-53-36-28-48(29-37-53)63(47-26-20-42(2)21-27-47)59-19-13-11-17-55(59)57-39-33-51(41-61(57)63)64(49-30-22-46(23-31-49)45-14-8-7-9-15-45)50-32-38-56-54-16-10-12-18-58(54)62(4,5)60(56)40-50/h7-41,43H,6H2,1-5H3
• InChIKey: FALJWFITFSITDO-UHFFFAOYSA-N
• XLogP: 17.11
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.12
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 154985541) is N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CCC(C)c1ccc(Oc2ccc(C3(c4ccc(C)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc43)cc2)cc1.

What is the InChIKey of N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is FALJWFITFSITDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H53NO/c1-6-43(3)44-24-34-52(35-25-44)65-53-36-28-48(29-37-53)63(47-26-20-42(2)21-27-47)59-19-13-11-17-55(59)57-39-33-51(41-61(57)63)64(49-30-22-46(23-31-49)45-14-8-7-9-15-45)50-32-38-56-54-16-10-12-18-58(54)62(4,5)60(56)40-50/h7-41,43H,6H2,1-5H3.

What are the key properties of N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 840.12 g/mol, XLogP of 17.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 154985541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).