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

C33H28ClN — CID 167166806

IUPACN-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-4-amine
SMILESClc1cc2ccccc2cc1Nc1cccc2c1-c1ccccc1C21C2CC3CC4CC1C2(C3)C4
InChIInChI=1S/C33H28ClN/c34-26-15-21-6-1-2-7-22(21)16-28(26)35-27-11-5-10-25-31(27)23-8-3-4-9-24(23)33(25)29-13-19-12-20-14-30(33)32(29,17-19)18-20/h1-11,15-16,19-20,29-30,35H,12-14,17-18H2
InChIKeyAVSMCCDWHKVGBZ-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]-4-amine

N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-4-amine (PubChem CID 167166806) 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]-4-amine.

Molecular Properties

Compound NameN-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-4-amine
PubChem CID167166806
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]-4-amine
SMILESClc1cc2ccccc2cc1Nc1cccc2c1-c1ccccc1C21C2CC3CC4CC1C2(C3)C4
InChIInChI=1S/C33H28ClN/c34-26-15-21-6-1-2-7-22(21)16-28(26)35-27-11-5-10-25-31(27)23-8-3-4-9-24(23)33(25)29-13-19-12-20-14-30(33)32(29,17-19)18-20/h1-11,15-16,19-20,29-30,35H,12-14,17-18H2
InChIKeyAVSMCCDWHKVGBZ-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]-2-amine
CID 156579086
N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 166050353
N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine
CID 164819461
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407242
N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407260
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
N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 166807941
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
9,9-dimethyl-N-naphthalen-2-ylfluoren-4-amine
CID 118462698
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine
CID 177114163
N-(4-naphthalen-1-ylphenyl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)spiro[tetracyclo[5.3.1.03,9.05,9]undecane-4,9'-xanthene]-3'-amine
CID 176594796
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155409043

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]-4-amine?
The IUPAC name of N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-4-amine (CID 167166806) is N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-4-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]-4-amine?
The canonical SMILES for N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-4-amine is Clc1cc2ccccc2cc1Nc1cccc2c1-c1ccccc1C21C2CC3CC4CC1C2(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]-4-amine?
The InChIKey is AVSMCCDWHKVGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28ClN/c34-26-15-21-6-1-2-7-22(21)16-28(26)35-27-11-5-10-25-31(27)23-8-3-4-9-24(23)33(25)29-13-19-12-20-14-30(33)32(29,17-19)18-20/h1-11,15-16,19-20,29-30,35H,12-14,17-18H2.
What are the key properties of N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-4-amine?
N-(3-chloronaphthalen-2-yl)spiro[fluorene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]-4-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]-4-amine is sourced from PubChem (CID 167166806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).