9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C64H57N — CID 145354424

About 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 145354424) has the molecular formula C64H57N and a molecular weight of 840.17 g/mol. Its IUPAC name is 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 145354424
• Molecular Formula: C64H57N
• Molecular Weight: 840.17 g/mol
• Exact Mass: 839.45
• IUPAC Name: 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CCCc1ccccc1-c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2cc(-c4cccc(C)c4-c4cccc(-c5ccccc5C)c4C)ccc2-3)ccc1C
• InChI: InChI=1S/C64H57N/c1-8-18-48-23-13-15-25-56(48)60-40-51(33-29-43(60)3)65(50-34-30-47(31-35-50)46-21-10-9-11-22-46)52-36-38-59-58-37-32-49(39-61(58)64(6,7)62(59)41-52)57-28-16-20-44(4)63(57)55-27-17-26-54(45(55)5)53-24-14-12-19-42(53)2/h9-17,19-41H,8,18H2,1-7H3
• InChIKey: ZANWDADWVFKTHD-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.17
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 145354424) is 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CCCc1ccccc1-c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2cc(-c4cccc(C)c4-c4cccc(-c5ccccc5C)c4C)ccc2-3)ccc1C.

What is the InChIKey of 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is ZANWDADWVFKTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H57N/c1-8-18-48-23-13-15-25-56(48)60-40-51(33-29-43(60)3)65(50-34-30-47(31-35-50)46-21-10-9-11-22-46)52-36-38-59-58-37-32-49(39-61(58)64(6,7)62(59)41-52)57-28-16-20-44(4)63(57)55-27-17-26-54(45(55)5)53-24-14-12-19-42(53)2/h9-17,19-41H,8,18H2,1-7H3.

What are the key properties of 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 840.17 g/mol, XLogP of 17.98, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 145354424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).