1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C22H27N — CID 174779227

IUPAC1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESC1C2CC3C4CC5CC(C14)C(C2)C3C5.c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H20.C8H7N/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8;1-2-4-8-7(3-1)5-6-9-8/h7-14H,1-6H2;1-6,9H
InChIKeyLPTIYGHRZHZYGV-UHFFFAOYSA-N
MW305.46 g/mol
LogP5.49
Rot. Bonds

About 1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 174779227) has the molecular formula C22H27N and a molecular weight of 305.46 g/mol. Its IUPAC name is 1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Name1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID174779227
Molecular FormulaC22H27N
Molecular Weight305.46 g/mol
Exact Mass305.21
IUPAC Name1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESC1C2CC3C4CC5CC(C14)C(C2)C3C5.c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H20.C8H7N/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8;1-2-4-8-7(3-1)5-6-9-8/h7-14H,1-6H2;1-6,9H
InChIKeyLPTIYGHRZHZYGV-UHFFFAOYSA-N
XLogP5.49
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of 1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 174779227) is 1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for 1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for 1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is C1C2CC3C4CC5CC(C14)C(C2)C3C5.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is LPTIYGHRZHZYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C8H7N/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8;1-2-4-8-7(3-1)5-6-9-8/h7-14H,1-6H2;1-6,9H.
What are the key properties of 1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 305.46 g/mol, XLogP of 5.49, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 174779227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).