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

C58H47N — CID 170217046

IUPACN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(CCCC3)c3ccccc3-4)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)c21
InChIInChI=1S/C58H47N/c1-56(2)49-26-11-7-22-43(49)47-24-17-25-48(55(47)56)46-23-10-14-29-54(46)59(40-31-33-45-42-21-9-13-28-51(42)58(53(45)37-40)34-15-16-35-58)39-30-32-44-41-20-8-12-27-50(41)57(3,52(44)36-39)38-18-5-4-6-19-38/h4-14,17-33,36-37H,15-16,34-35H2,1-3H3
InChIKeyCURKYKRDHMYVIZ-UHFFFAOYSA-N
MW758.02 g/mol
LogP15.30
Rot. Bonds5

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

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine (PubChem CID 170217046) has the molecular formula C58H47N and a molecular weight of 758.02 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
PubChem CID170217046
Molecular FormulaC58H47N
Molecular Weight758.02 g/mol
Exact Mass757.37
IUPAC NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(CCCC3)c3ccccc3-4)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)c21
InChIInChI=1S/C58H47N/c1-56(2)49-26-11-7-22-43(49)47-24-17-25-48(55(47)56)46-23-10-14-29-54(46)59(40-31-33-45-42-21-9-13-28-51(42)58(53(45)37-40)34-15-16-35-58)39-30-32-44-41-20-8-12-27-50(41)57(3,52(44)36-39)38-18-5-4-6-19-38/h4-14,17-33,36-37H,15-16,34-35H2,1-3H3
InChIKeyCURKYKRDHMYVIZ-UHFFFAOYSA-N
XLogP15.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.02
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217040
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217686
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
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217209
N-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217348
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217349
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170216915
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(3,4-diphenylphenyl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217297
9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine
CID 170140908
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 170215498
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine
CID 170216920

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine (CID 170217046) is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)C3(CCCC3)c3ccccc3-4)c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)c21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The InChIKey is CURKYKRDHMYVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47N/c1-56(2)49-26-11-7-22-43(49)47-24-17-25-48(55(47)56)46-23-10-14-29-54(46)59(40-31-33-45-42-21-9-13-28-51(42)58(53(45)37-40)34-15-16-35-58)39-30-32-44-41-20-8-12-27-50(41)57(3,52(44)36-39)38-18-5-4-6-19-38/h4-14,17-33,36-37H,15-16,34-35H2,1-3H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine?
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine has a molecular weight of 758.02 g/mol, XLogP of 15.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 170217046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).