N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine

C65H53N — CID 170215685

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine (PubChem CID 170215685) has the molecular formula C65H53N and a molecular weight of 848.15 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
• PubChem CID: 170215685
• Molecular Formula: C65H53N
• Molecular Weight: 848.15 g/mol
• Exact Mass: 847.42
• IUPAC Name: N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
• SMILES: CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)cc3)c21
• InChI: InChI=1S/C65H53N/c1-63(2)57-24-11-8-21-53(57)56-23-16-22-50(62(56)63)44-29-34-48(35-30-44)66(49-36-38-55-52-20-10-13-26-59(52)65(61(55)42-49)39-14-5-15-40-65)47-32-27-43(28-33-47)45-31-37-54-51-19-9-12-25-58(51)64(3,60(54)41-45)46-17-6-4-7-18-46/h4,6-13,16-38,41-42H,5,14-15,39-40H2,1-3H3
• InChIKey: DYJMHQIOWHYQQO-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.15
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?

The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine (CID 170215685) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine.

What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?

The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(c5ccccc5)c5ccccc5-6)cc4)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)cc3)c21.

What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?

The InChIKey is DYJMHQIOWHYQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53N/c1-63(2)57-24-11-8-21-53(57)56-23-16-22-50(62(56)63)44-29-34-48(35-30-44)66(49-36-38-55-52-20-10-13-26-59(52)65(61(55)42-49)39-14-5-15-40-65)47-32-27-43(28-33-47)45-31-37-54-51-19-9-12-25-58(51)64(3,60(54)41-45)46-17-6-4-7-18-46/h4,6-13,16-38,41-42H,5,14-15,39-40H2,1-3H3.

What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine has a molecular weight of 848.15 g/mol, XLogP of 17.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 170215685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).