9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole

C22H22N2O2 — CID 156597385

IUPAC9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole
SMILESCc1c2cnccc2c(C)c2c1c1cc(C3OCCCO3)ccc1n2C
InChIInChI=1S/C22H22N2O2/c1-13-18-12-23-8-7-16(18)14(2)21-20(13)17-11-15(5-6-19(17)24(21)3)22-25-9-4-10-26-22/h5-8,11-12,22H,4,9-10H2,1-3H3
InChIKeyONXKAECAHOAMFB-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.93
Rot. Bonds1

About 9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole

9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole (PubChem CID 156597385) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole.

Molecular Properties

Compound Name9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole
PubChem CID156597385
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole
SMILESCc1c2cnccc2c(C)c2c1c1cc(C3OCCCO3)ccc1n2C
InChIInChI=1S/C22H22N2O2/c1-13-18-12-23-8-7-16(18)14(2)21-20(13)17-11-15(5-6-19(17)24(21)3)22-25-9-4-10-26-22/h5-8,11-12,22H,4,9-10H2,1-3H3
InChIKeyONXKAECAHOAMFB-UHFFFAOYSA-N
XLogP4.93
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole?
The IUPAC name of 9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole (CID 156597385) is 9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole.
What is the SMILES notation for 9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole?
The canonical SMILES for 9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole is Cc1c2cnccc2c(C)c2c1c1cc(C3OCCCO3)ccc1n2C.
What is the InChIKey of 9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole?
The InChIKey is ONXKAECAHOAMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-13-18-12-23-8-7-16(18)14(2)21-20(13)17-11-15(5-6-19(17)24(21)3)22-25-9-4-10-26-22/h5-8,11-12,22H,4,9-10H2,1-3H3.
What are the key properties of 9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole?
9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole has a molecular weight of 346.43 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-dioxan-2-yl)-5,6,11-trimethylpyrido[4,3-b]carbazole is sourced from PubChem (CID 156597385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).