N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine

C59H49N — CID 170143737

IUPACN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43CCCC3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C59H49N/c1-57(2)49-25-11-7-22-46(49)56-45(23-17-27-52(56)57)44-21-9-14-29-55(44)60(39-31-33-51-47(37-39)42-20-6-12-26-50(42)59(51)34-15-16-35-59)54-28-13-8-18-40(54)38-30-32-43-41-19-5-10-24-48(41)58(3,4)53(43)36-38/h5-14,17-33,36-37H,15-16,34-35H2,1-4H3
InChIKeyRHQFEHOTRAOXNM-UHFFFAOYSA-N
MW772.05 g/mol
LogP15.94
Rot. Bonds5

About N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine

N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine (PubChem CID 170143737) has the molecular formula C59H49N and a molecular weight of 772.05 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine
PubChem CID170143737
Molecular FormulaC59H49N
Molecular Weight772.05 g/mol
Exact Mass771.39
IUPAC NameN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43CCCC3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C59H49N/c1-57(2)49-25-11-7-22-46(49)56-45(23-17-27-52(56)57)44-21-9-14-29-55(44)60(39-31-33-51-47(37-39)42-20-6-12-26-50(42)59(51)34-15-16-35-59)54-28-13-8-18-40(54)38-30-32-43-41-19-5-10-24-48(41)58(3,4)53(43)36-38/h5-14,17-33,36-37H,15-16,34-35H2,1-4H3
InChIKeyRHQFEHOTRAOXNM-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

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Related Compounds

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
CID 170143772
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3,4-diphenylaniline
CID 170142171
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170143467
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(2-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine
CID 170144049
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-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170142627
2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 170142044
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-[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-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diethylfluoren-2-amine
CID 170143764
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-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 170143527

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine (CID 170143737) is N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43CCCC3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine?
The InChIKey is RHQFEHOTRAOXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H49N/c1-57(2)49-25-11-7-22-46(49)56-45(23-17-27-52(56)57)44-21-9-14-29-55(44)60(39-31-33-51-47(37-39)42-20-6-12-26-50(42)59(51)34-15-16-35-59)54-28-13-8-18-40(54)38-30-32-43-41-19-5-10-24-48(41)58(3,4)53(43)36-38/h5-14,17-33,36-37H,15-16,34-35H2,1-4H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine?
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-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-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine is sourced from PubChem (CID 170143737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).