N-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine

C32H39N — CID 167289029

IUPACN-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCC1CC2(c3ccccc3-c3ccc(Nc4ccc(C(C)(C)C)cc4)cc32)C(C)(C)C1(C)C
InChIInChI=1S/C32H39N/c1-21-20-32(31(7,8)30(21,5)6)27-12-10-9-11-25(27)26-18-17-24(19-28(26)32)33-23-15-13-22(14-16-23)29(2,3)4/h9-19,21,33H,20H2,1-8H3
InChIKeyIUYNBANMIALXKY-UHFFFAOYSA-N
MW437.67 g/mol
LogP9.09
Rot. Bonds2

About N-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine

N-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine (PubChem CID 167289029) has the molecular formula C32H39N and a molecular weight of 437.67 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine
PubChem CID167289029
Molecular FormulaC32H39N
Molecular Weight437.67 g/mol
Exact Mass437.31
IUPAC NameN-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCC1CC2(c3ccccc3-c3ccc(Nc4ccc(C(C)(C)C)cc4)cc32)C(C)(C)C1(C)C
InChIInChI=1S/C32H39N/c1-21-20-32(31(7,8)30(21,5)6)27-12-10-9-11-25(27)26-18-17-24(19-28(26)32)33-23-15-13-22(14-16-23)29(2,3)4/h9-19,21,33H,20H2,1-8H3
InChIKeyIUYNBANMIALXKY-UHFFFAOYSA-N
XLogP9.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.67
LogP ≤ 59.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]
CID 167289014
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
N-(4-tert-butylphenyl)naphthalen-2-amine;9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 162082331
9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 177114050
N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 174318657
4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 161077645
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine
CID 176909430
N-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)-7,7-dimethylbenzo[a]phenalen-9-amine
CID 176909438
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]dibenzothiophen-3-amine
CID 177113959

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine?
The IUPAC name of N-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine (CID 167289029) is N-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine is CC1CC2(c3ccccc3-c3ccc(Nc4ccc(C(C)(C)C)cc4)cc32)C(C)(C)C1(C)C.
What is the InChIKey of N-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine?
The InChIKey is IUYNBANMIALXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N/c1-21-20-32(31(7,8)30(21,5)6)27-12-10-9-11-25(27)26-18-17-24(19-28(26)32)33-23-15-13-22(14-16-23)29(2,3)4/h9-19,21,33H,20H2,1-8H3.
What are the key properties of N-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine?
N-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine has a molecular weight of 437.67 g/mol, XLogP of 9.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 167289029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).