N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine

C33H28ClN — CID 156579086

IUPACN-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine
SMILESClc1cc2ccccc2cc1Nc1ccc2c(c1)C1(c3ccccc3-2)C2CC3CC4CC1C2(C3)C4
InChIInChI=1S/C33H28ClN/c34-28-14-21-5-1-2-6-22(21)15-29(28)35-23-9-10-25-24-7-3-4-8-26(24)33(27(25)16-23)30-12-19-11-20-13-31(33)32(30,17-19)18-20/h1-10,14-16,19-20,30-31,35H,11-13,17-18H2
InChIKeyWVLPVSBZMAMFMN-UHFFFAOYSA-N
MW474.05 g/mol
LogP8.96
Rot. Bonds2

About N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine

N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine (PubChem CID 156579086) has the molecular formula C33H28ClN and a molecular weight of 474.05 g/mol. Its IUPAC name is N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine.

Molecular Properties

Compound NameN-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine
PubChem CID156579086
Molecular FormulaC33H28ClN
Molecular Weight474.05 g/mol
Exact Mass473.19
IUPAC NameN-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine
SMILESClc1cc2ccccc2cc1Nc1ccc2c(c1)C1(c3ccccc3-2)C2CC3CC4CC1C2(C3)C4
InChIInChI=1S/C33H28ClN/c34-28-14-21-5-1-2-6-22(21)15-29(28)35-23-9-10-25-24-7-3-4-8-26(24)33(27(25)16-23)30-12-19-11-20-13-31(33)32(30,17-19)18-20/h1-10,14-16,19-20,30-31,35H,11-13,17-18H2
InChIKeyWVLPVSBZMAMFMN-UHFFFAOYSA-N
XLogP8.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.05
LogP ≤ 58.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-4-amine
CID 167166806
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155409043
spiro[12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-23,4'-tetracyclo[5.3.1.03,9.05,9]undecane]
CID 167166718
N-[2-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 156556685
N-(2-chlorophenyl)-9,9-diphenylfluoren-2-amine
CID 126695799
N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine
CID 118343935
N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 155407255
N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 164774415
N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
CID 164819543
N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine
CID 167036333
spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]
CID 167166607
2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene]
CID 176825160

Frequently Asked Questions

What is the IUPAC name of N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine?
The IUPAC name of N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine (CID 156579086) is N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine.
What is the SMILES notation for N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine?
The canonical SMILES for N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine is Clc1cc2ccccc2cc1Nc1ccc2c(c1)C1(c3ccccc3-2)C2CC3CC4CC1C2(C3)C4.
What is the InChIKey of N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine?
The InChIKey is WVLPVSBZMAMFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28ClN/c34-28-14-21-5-1-2-6-22(21)15-29(28)35-23-9-10-25-24-7-3-4-8-26(24)33(27(25)16-23)30-12-19-11-20-13-31(33)32(30,17-19)18-20/h1-10,14-16,19-20,30-31,35H,11-13,17-18H2.
What are the key properties of N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine?
N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine has a molecular weight of 474.05 g/mol, XLogP of 8.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-2-amine is sourced from PubChem (CID 156579086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).