N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine

C32H30ClN — CID 164819461

IUPACN-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine
SMILESCC1CC2CCC3(c4ccccc4-c4c(Nc5cc6ccccc6cc5Cl)cccc43)C(C1)C2
InChIInChI=1S/C32H30ClN/c1-20-15-21-13-14-32(24(16-20)17-21)26-10-5-4-9-25(26)31-27(32)11-6-12-29(31)34-30-19-23-8-3-2-7-22(23)18-28(30)33/h2-12,18-21,24,34H,13-17H2,1H3
InChIKeyZWRMRAHMIVVXCH-UHFFFAOYSA-N
MW464.05 g/mol
LogP9.35
Rot. Bonds2

About N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine

N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine (PubChem CID 164819461) has the molecular formula C32H30ClN and a molecular weight of 464.05 g/mol. Its IUPAC name is N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine
PubChem CID164819461
Molecular FormulaC32H30ClN
Molecular Weight464.05 g/mol
Exact Mass463.21
IUPAC NameN-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine
SMILESCC1CC2CCC3(c4ccccc4-c4c(Nc5cc6ccccc6cc5Cl)cccc43)C(C1)C2
InChIInChI=1S/C32H30ClN/c1-20-15-21-13-14-32(24(16-20)17-21)26-10-5-4-9-25(26)31-27(32)11-6-12-29(31)34-30-19-23-8-3-2-7-22(23)18-28(30)33/h2-12,18-21,24,34H,13-17H2,1H3
InChIKeyZWRMRAHMIVVXCH-UHFFFAOYSA-N
XLogP9.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.05
LogP ≤ 59.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine (CID 164819461) is N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine is CC1CC2CCC3(c4ccccc4-c4c(Nc5cc6ccccc6cc5Cl)cccc43)C(C1)C2.
What is the InChIKey of N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine?
The InChIKey is ZWRMRAHMIVVXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClN/c1-20-15-21-13-14-32(24(16-20)17-21)26-10-5-4-9-25(26)31-27(32)11-6-12-29(31)34-30-19-23-8-3-2-7-22(23)18-28(30)33/h2-12,18-21,24,34H,13-17H2,1H3.
What are the key properties of N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine?
N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine has a molecular weight of 464.05 g/mol, XLogP of 9.35, 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)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 164819461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).