8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol

C24H20N2O — CID 44523491

IUPAC8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol
SMILESCc1c2ccncc2c(C)c2c1[nH]c1cc(Cc3ccccc3)c(O)cc12
InChIInChI=1S/C24H20N2O/c1-14-20-13-25-9-8-18(20)15(2)24-23(14)19-12-22(27)17(11-21(19)26-24)10-16-6-4-3-5-7-16/h3-9,11-13,26-27H,10H2,1-2H3
InChIKeySPYGFWIDPZNNNG-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.78
Rot. Bonds2

About 8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol

8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol (PubChem CID 44523491) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol.

Molecular Properties

Compound Name8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol
PubChem CID44523491
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol
SMILESCc1c2ccncc2c(C)c2c1[nH]c1cc(Cc3ccccc3)c(O)cc12
InChIInChI=1S/C24H20N2O/c1-14-20-13-25-9-8-18(20)15(2)24-23(14)19-12-22(27)17(11-21(19)26-24)10-16-6-4-3-5-7-16/h3-9,11-13,26-27H,10H2,1-2H3
InChIKeySPYGFWIDPZNNNG-UHFFFAOYSA-N
XLogP5.78
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol?
The IUPAC name of 8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol (CID 44523491) is 8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol.
What is the SMILES notation for 8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol?
The canonical SMILES for 8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol is Cc1c2ccncc2c(C)c2c1[nH]c1cc(Cc3ccccc3)c(O)cc12.
What is the InChIKey of 8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol?
The InChIKey is SPYGFWIDPZNNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-14-20-13-25-9-8-18(20)15(2)24-23(14)19-12-22(27)17(11-21(19)26-24)10-16-6-4-3-5-7-16/h3-9,11-13,26-27H,10H2,1-2H3.
What are the key properties of 8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol?
8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol has a molecular weight of 352.44 g/mol, XLogP of 5.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol is sourced from PubChem (CID 44523491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).