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

C71H65N — CID 170217335

IUPACN-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3c(N(c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cccc32)cc1
InChIInChI=1S/C71H65N/c1-67(2,3)46-33-37-48(38-34-46)71(49-39-35-47(36-40-49)68(4,5)6)60-29-15-11-24-57(60)65-61(71)30-20-32-64(65)72(50-41-42-53-51-21-10-14-28-59(51)70(62(53)45-50)43-17-18-44-70)63-31-16-12-23-54(63)56-26-19-25-55-52-22-9-13-27-58(52)69(7,8)66(55)56/h9-16,19-42,45H,17-18,43-44H2,1-8H3
InChIKeyACZPTYPLPWAYDJ-UHFFFAOYSA-N
MW932.31 g/mol
LogP18.93
Rot. Bonds6

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

N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine (PubChem CID 170217335) has the molecular formula C71H65N and a molecular weight of 932.31 g/mol. Its IUPAC name is N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
PubChem CID170217335
Molecular FormulaC71H65N
Molecular Weight932.31 g/mol
Exact Mass931.51
IUPAC NameN-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3c(N(c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cccc32)cc1
InChIInChI=1S/C71H65N/c1-67(2,3)46-33-37-48(38-34-46)71(49-39-35-47(36-40-49)68(4,5)6)60-29-15-11-24-57(60)65-61(71)30-20-32-64(65)72(50-41-42-53-51-21-10-14-28-59(51)70(62(53)45-50)43-17-18-44-70)63-31-16-12-23-54(63)56-26-19-25-55-52-22-9-13-27-58(52)69(7,8)66(55)56/h9-16,19-42,45H,17-18,43-44H2,1-8H3
InChIKeyACZPTYPLPWAYDJ-UHFFFAOYSA-N
XLogP18.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.31
LogP ≤ 518.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217348
N-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216737
N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217313
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-tert-butylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170218153
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170216886
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217209
9,9-bis(4-tert-butylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]fluoren-2-amine
CID 170216975
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-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217040
1'-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 168750159
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

Frequently Asked Questions

What is the IUPAC name of N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The IUPAC name of N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine (CID 170217335) is N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The canonical SMILES for N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3c(N(c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cccc32)cc1.
What is the InChIKey of N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The InChIKey is ACZPTYPLPWAYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H65N/c1-67(2,3)46-33-37-48(38-34-46)71(49-39-35-47(36-40-49)68(4,5)6)60-29-15-11-24-57(60)65-61(71)30-20-32-64(65)72(50-41-42-53-51-21-10-14-28-59(51)70(62(53)45-50)43-17-18-44-70)63-31-16-12-23-54(63)56-26-19-25-55-52-22-9-13-27-58(52)69(7,8)66(55)56/h9-16,19-42,45H,17-18,43-44H2,1-8H3.
What are the key properties of N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine has a molecular weight of 932.31 g/mol, XLogP of 18.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 170217335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).