N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine

C59H57N — CID 169029783

About N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine

N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine (PubChem CID 169029783) has the molecular formula C59H57N and a molecular weight of 780.11 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine.

Molecular Properties

• Compound Name: N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine
• PubChem CID: 169029783
• Molecular Formula: C59H57N
• Molecular Weight: 780.11 g/mol
• Exact Mass: 779.45
• IUPAC Name: N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine
• SMILES: CC1(C)CCC(C)(C)c2cc3c(cc21)-c1ccc(N(c2ccc(-c4ccccc4)cc2)c2cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c2)cc1C31CCCCC1
• InChI: InChI=1S/C59H57N/c1-56(2)33-34-57(3,4)54-38-52-49(37-53(54)56)47-30-29-44(36-51(47)59(52)31-13-8-14-32-59)60(42-27-25-40(26-28-42)39-17-9-7-10-18-39)43-20-15-19-41(35-43)45-22-16-23-48-46-21-11-12-24-50(46)58(5,6)55(45)48/h7,9-12,15-30,35-38H,8,13-14,31-34H2,1-6H3
• InChIKey: YCFOJOJWZFVVGK-UHFFFAOYSA-N
• XLogP: 16.38
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.11
LogP ≤ 5	16.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine?

The IUPAC name of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine (CID 169029783) is N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine.

What is the SMILES notation for N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine?

The canonical SMILES for N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine is CC1(C)CCC(C)(C)c2cc3c(cc21)-c1ccc(N(c2ccc(-c4ccccc4)cc2)c2cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c2)cc1C31CCCCC1.

What is the InChIKey of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine?

The InChIKey is YCFOJOJWZFVVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H57N/c1-56(2)33-34-57(3,4)54-38-52-49(37-53(54)56)47-30-29-44(36-51(47)59(52)31-13-8-14-32-59)60(42-27-25-40(26-28-42)39-17-9-7-10-18-39)43-20-15-19-41(35-43)45-22-16-23-48-46-21-11-12-24-50(46)58(5,6)55(45)48/h7,9-12,15-30,35-38H,8,13-14,31-34H2,1-6H3.

What are the key properties of N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine?

N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine has a molecular weight of 780.11 g/mol, XLogP of 16.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine is sourced from PubChem (CID 169029783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).