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

C71H65N — CID 170216737

IUPACN-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCC(C)(C)c1cccc(C2(c3cccc(C(C)(C)C)c3)c3ccccc3-c3c(N(c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)cccc32)c1
InChIInChI=1S/C71H65N/c1-67(2,3)47-23-18-25-49(43-47)71(50-26-19-24-48(44-50)68(4,5)6)61-35-14-11-30-58(61)65-62(71)36-21-37-64(65)72(52-38-39-56-54-28-10-13-34-60(54)70(63(56)45-52)40-15-16-41-70)51-27-17-22-46(42-51)53-31-20-32-57-55-29-9-12-33-59(55)69(7,8)66(53)57/h9-14,17-39,42-45H,15-16,40-41H2,1-8H3
InChIKeyFOMHZEMGWGPZMT-UHFFFAOYSA-N
MW932.31 g/mol
LogP18.93
Rot. Bonds6

About 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

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 (PubChem CID 170216737) has the molecular formula C71H65N and a molecular weight of 932.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
PubChem CID170216737
Molecular FormulaC71H65N
Molecular Weight932.31 g/mol
Exact Mass931.51
IUPAC NameN-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCC(C)(C)c1cccc(C2(c3cccc(C(C)(C)C)c3)c3ccccc3-c3c(N(c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)cccc32)c1
InChIInChI=1S/C71H65N/c1-67(2,3)47-23-18-25-49(43-47)71(50-26-19-24-48(44-50)68(4,5)6)61-35-14-11-30-58(61)65-62(71)36-21-37-64(65)72(52-38-39-56-54-28-10-13-34-60(54)70(63(56)45-52)40-15-16-41-70)51-27-17-22-46(42-51)53-31-20-32-57-55-29-9-12-33-59(55)69(7,8)66(53)57/h9-14,17-39,42-45H,15-16,40-41H2,1-8H3
InChIKeyFOMHZEMGWGPZMT-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-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217335
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-[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-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170215895
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170216462
N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170216586
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267118
N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170216687
N-(4-tert-butylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170218153
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-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 139568275

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cccc(C2(c3cccc(C(C)(C)C)c3)c3ccccc3-c3c(N(c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)cccc32)c1.
What is the InChIKey of 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?
The InChIKey is FOMHZEMGWGPZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H65N/c1-67(2,3)47-23-18-25-49(43-47)71(50-26-19-24-48(44-50)68(4,5)6)61-35-14-11-30-58(61)65-62(71)36-21-37-64(65)72(52-38-39-56-54-28-10-13-34-60(54)70(63(56)45-52)40-15-16-41-70)51-27-17-22-46(42-51)53-31-20-32-57-55-29-9-12-33-59(55)69(7,8)66(53)57/h9-14,17-39,42-45H,15-16,40-41H2,1-8H3.
What are the key properties of 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?
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 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(3-tert-butylphenyl)fluoren-4-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 170216737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).