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

C59H49N — CID 170217349

IUPACN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C59H49N/c1-57(2)50-22-9-5-16-42(50)45-32-28-39(36-53(45)57)38-26-29-40(30-27-38)60(41-31-33-46-43-17-7-11-24-52(43)59(54(46)37-41)34-13-14-35-59)55-25-12-8-19-47(55)49-21-15-20-48-44-18-6-10-23-51(44)58(3,4)56(48)49/h5-12,15-33,36-37H,13-14,34-35H2,1-4H3
InChIKeyUXAUFGVGYKZKLU-UHFFFAOYSA-N
MW772.05 g/mol
LogP15.94
Rot. Bonds5

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

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine (PubChem CID 170217349) has the molecular formula C59H49N and a molecular weight of 772.05 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
PubChem CID170217349
Molecular FormulaC59H49N
Molecular Weight772.05 g/mol
Exact Mass771.39
IUPAC NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C59H49N/c1-57(2)50-22-9-5-16-42(50)45-32-28-39(36-53(45)57)38-26-29-40(30-27-38)60(41-31-33-46-43-17-7-11-24-52(43)59(54(46)37-41)34-13-14-35-59)55-25-12-8-19-47(55)49-21-15-20-48-44-18-6-10-23-51(44)58(3,4)56(48)49/h5-12,15-33,36-37H,13-14,34-35H2,1-4H3
InChIKeyUXAUFGVGYKZKLU-UHFFFAOYSA-N
XLogP15.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.05
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217768
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline
CID 170215764
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216369
N-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217448
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]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217209
2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 170218393
N-[2-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170215895
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylspiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216061
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217046
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(3,4-diphenylphenyl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217297
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217040

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The IUPAC name of 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) is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The InChIKey is UXAUFGVGYKZKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H49N/c1-57(2)50-22-9-5-16-42(50)45-32-28-39(36-53(45)57)38-26-29-40(30-27-38)60(41-31-33-46-43-17-7-11-24-52(43)59(54(46)37-41)34-13-14-35-59)55-25-12-8-19-47(55)49-21-15-20-48-44-18-6-10-23-51(44)58(3,4)56(48)49/h5-12,15-33,36-37H,13-14,34-35H2,1-4H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine has a molecular weight of 772.05 g/mol, XLogP of 15.94, 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-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 170217349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).