2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol

C28H24N2O4 — CID 6712792

IUPAC2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol
SMILESCOc1ccc2[nH]c3c(O)c(-c4c(C)cc5c([nH]c6ccc(OC)cc65)c4O)c(C)cc3c2c1
InChIInChI=1S/C28H24N2O4/c1-13-9-19-17-11-15(33-3)5-7-21(17)29-25(19)27(31)23(13)24-14(2)10-20-18-12-16(34-4)6-8-22(18)30-26(20)28(24)32/h5-12,29-32H,1-4H3
InChIKeyLOTTYLIBOWVVMM-UHFFFAOYSA-N
MW452.51 g/mol
LogP6.67
Rot. Bonds3

About 2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol

2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol (PubChem CID 6712792) has the molecular formula C28H24N2O4 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol.

Molecular Properties

Compound Name2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol
PubChem CID6712792
Molecular FormulaC28H24N2O4
Molecular Weight452.51 g/mol
Exact Mass452.17
IUPAC Name2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol
SMILESCOc1ccc2[nH]c3c(O)c(-c4c(C)cc5c([nH]c6ccc(OC)cc65)c4O)c(C)cc3c2c1
InChIInChI=1S/C28H24N2O4/c1-13-9-19-17-11-15(33-3)5-7-21(17)29-25(19)27(31)23(13)24-14(2)10-20-18-12-16(34-4)6-8-22(18)30-26(20)28(24)32/h5-12,29-32H,1-4H3
InChIKeyLOTTYLIBOWVVMM-UHFFFAOYSA-N
XLogP6.67
TPSA90.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 56.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol 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 2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol?
The IUPAC name of 2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol (CID 6712792) is 2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol.
What is the SMILES notation for 2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol?
The canonical SMILES for 2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol is COc1ccc2[nH]c3c(O)c(-c4c(C)cc5c([nH]c6ccc(OC)cc65)c4O)c(C)cc3c2c1.
What is the InChIKey of 2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol?
The InChIKey is LOTTYLIBOWVVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O4/c1-13-9-19-17-11-15(33-3)5-7-21(17)29-25(19)27(31)23(13)24-14(2)10-20-18-12-16(34-4)6-8-22(18)30-26(20)28(24)32/h5-12,29-32H,1-4H3.
What are the key properties of 2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol?
2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol has a molecular weight of 452.51 g/mol, XLogP of 6.67, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol is sourced from PubChem (CID 6712792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).