9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine

C17H15N — CID 90482134

IUPAC9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine
SMILESNCC12c3ccccc3C3C(c4ccccc41)C32
InChIInChI=1S/C17H15N/c18-9-17-12-7-3-1-5-10(12)14-15(16(14)17)11-6-2-4-8-13(11)17/h1-8,14-16H,9,18H2
InChIKeyIRIFPDNYPYWIRM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.76
Rot. Bonds1

About 9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine

9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine (PubChem CID 90482134) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine.

Molecular Properties

Compound Name9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine
PubChem CID90482134
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine
SMILESNCC12c3ccccc3C3C(c4ccccc41)C32
InChIInChI=1S/C17H15N/c18-9-17-12-7-3-1-5-10(12)14-15(16(14)17)11-6-2-4-8-13(11)17/h1-8,14-16H,9,18H2
InChIKeyIRIFPDNYPYWIRM-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine?
The IUPAC name of 9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine (CID 90482134) is 9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine.
What is the SMILES notation for 9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine?
The canonical SMILES for 9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine is NCC12c3ccccc3C3C(c4ccccc41)C32.
What is the InChIKey of 9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine?
The InChIKey is IRIFPDNYPYWIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c18-9-17-12-7-3-1-5-10(12)14-15(16(14)17)11-6-2-4-8-13(11)17/h1-8,14-16H,9,18H2.
What are the key properties of 9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine?
9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine has a molecular weight of 233.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaenylmethanamine is sourced from PubChem (CID 90482134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).