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

C65H53N — CID 170215764

IUPAC4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)cc4)c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C65H53N/c1-63(2)57-19-8-5-14-51(57)54-36-28-45(40-60(54)63)42-22-30-47(31-23-42)66(49-34-26-44(27-35-49)50-17-13-18-56-53-16-6-9-20-58(53)64(3,4)62(50)56)48-32-24-43(25-33-48)46-29-37-55-52-15-7-10-21-59(52)65(61(55)41-46)38-11-12-39-65/h5-10,13-37,40-41H,11-12,38-39H2,1-4H3
InChIKeyKDWCRRBZGIHGGA-UHFFFAOYSA-N
MW848.15 g/mol
LogP17.61
Rot. Bonds6

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

4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline (PubChem CID 170215764) has the molecular formula C65H53N and a molecular weight of 848.15 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline
PubChem CID170215764
Molecular FormulaC65H53N
Molecular Weight848.15 g/mol
Exact Mass847.42
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)cc4)c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C65H53N/c1-63(2)57-19-8-5-14-51(57)54-36-28-45(40-60(54)63)42-22-30-47(31-23-42)66(49-34-26-44(27-35-49)50-17-13-18-56-53-16-6-9-20-58(53)64(3,4)62(50)56)48-32-24-43(25-33-48)46-29-37-55-52-15-7-10-21-59(52)65(61(55)41-46)38-11-12-39-65/h5-10,13-37,40-41H,11-12,38-39H2,1-4H3
InChIKeyKDWCRRBZGIHGGA-UHFFFAOYSA-N
XLogP17.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.15
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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
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-[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-[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-[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-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216024
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-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170215738
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylspiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216061
N-(4-tert-butylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170218153
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170218075
N-[2-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170215895

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline?
The IUPAC name of 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) is 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)cc4)c4ccc(-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)cc3)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline?
The InChIKey is KDWCRRBZGIHGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53N/c1-63(2)57-19-8-5-14-51(57)54-36-28-45(40-60(54)63)42-22-30-47(31-23-42)66(49-34-26-44(27-35-49)50-17-13-18-56-53-16-6-9-20-58(53)64(3,4)62(50)56)48-32-24-43(25-33-48)46-29-37-55-52-15-7-10-21-59(52)65(61(55)41-46)38-11-12-39-65/h5-10,13-37,40-41H,11-12,38-39H2,1-4H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline?
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline has a molecular weight of 848.15 g/mol, XLogP of 17.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)aniline is sourced from PubChem (CID 170215764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).