9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine

C₆₄H₅₆N₂ — CID 171416383

About 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 171416383) has the molecular formula C₆₄H₅₆N₂ and a molecular weight of 853.17 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 171416383
• Molecular Formula: C₆₄H₅₆N₂
• Molecular Weight: 853.17 g/mol
• Exact Mass: 852.44
• IUPAC Name: 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1CCCCC1(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2cccc(-c4ccccc4)c2-3)cc1
• InChI: InChI=1S/C64H56N2/c1-46-19-16-17-44-64(46,50-32-38-55(39-33-50)65(52-24-12-6-13-25-52)53-26-14-7-15-27-53)51-34-40-56(41-35-51)66(54-36-30-48(31-37-54)47-20-8-4-9-21-47)57-42-43-59-61(45-57)63(2,3)60-29-18-28-58(62(59)60)49-22-10-5-11-23-49/h4-15,18,20-43,45-46H,16-17,19,44H2,1-3H3
• InChIKey: JUYGWFVHEAULQQ-UHFFFAOYSA-N
• XLogP: 17.76
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.17
LogP ≤ 5	17.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 171416383) is 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine is CC1CCCCC1(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2cccc(-c4ccccc4)c2-3)cc1.

What is the InChIKey of 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is JUYGWFVHEAULQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N2/c1-46-19-16-17-44-64(46,50-32-38-55(39-33-50)65(52-24-12-6-13-25-52)53-26-14-7-15-27-53)51-34-40-56(41-35-51)66(54-36-30-48(31-37-54)47-20-8-4-9-21-47)57-42-43-59-61(45-57)63(2,3)60-29-18-28-58(62(59)60)49-22-10-5-11-23-49/h4-15,18,20-43,45-46H,16-17,19,44H2,1-3H3.

What are the key properties of 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine?

9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 853.17 g/mol, XLogP of 17.76, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-[2-methyl-1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 171416383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171416383 — identifiers, structure, computed properties (public domain)

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