3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol

C24H28N2O — CID 19435738

IUPAC3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol
SMILESCc1cccc2c3c(n(C)c12)CC1(c2cccc(O)c2)CCN(C)CC1C3
InChIInChI=1S/C24H28N2O/c1-16-6-4-9-20-21-13-18-15-25(2)11-10-24(18,14-22(21)26(3)23(16)20)17-7-5-8-19(27)12-17/h4-9,12,18,27H,10-11,13-15H2,1-3H3
InChIKeyXTSJAKUNGWNYLD-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.18
Rot. Bonds1

About 3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol

3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol (PubChem CID 19435738) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol.

Molecular Properties

Compound Name3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol
PubChem CID19435738
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol
SMILESCc1cccc2c3c(n(C)c12)CC1(c2cccc(O)c2)CCN(C)CC1C3
InChIInChI=1S/C24H28N2O/c1-16-6-4-9-20-21-13-18-15-25(2)11-10-24(18,14-22(21)26(3)23(16)20)17-7-5-8-19(27)12-17/h4-9,12,18,27H,10-11,13-15H2,1-3H3
InChIKeyXTSJAKUNGWNYLD-UHFFFAOYSA-N
XLogP4.18
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol?
The IUPAC name of 3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol (CID 19435738) is 3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol.
What is the SMILES notation for 3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol?
The canonical SMILES for 3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol is Cc1cccc2c3c(n(C)c12)CC1(c2cccc(O)c2)CCN(C)CC1C3.
What is the InChIKey of 3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol?
The InChIKey is XTSJAKUNGWNYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-16-6-4-9-20-21-13-18-15-25(2)11-10-24(18,14-22(21)26(3)23(16)20)17-7-5-8-19(27)12-17/h4-9,12,18,27H,10-11,13-15H2,1-3H3.
What are the key properties of 3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol?
3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol has a molecular weight of 360.50 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6,7-trimethyl-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl)phenol is sourced from PubChem (CID 19435738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).