2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol

C30H28N2O6 — CID 6712794

IUPAC2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol
SMILESCOc1cc(OC)c2[nH]c3c(O)c(-c4c(C)cc5c([nH]c6c(OC)cc(OC)cc65)c4O)c(C)cc3c2c1
InChIInChI=1S/C30H28N2O6/c1-13-7-17-19-9-15(35-3)11-21(37-5)25(19)31-27(17)29(33)23(13)24-14(2)8-18-20-10-16(36-4)12-22(38-6)26(20)32-28(18)30(24)34/h7-12,31-34H,1-6H3
InChIKeyWJTUKKSXDIWQAM-UHFFFAOYSA-N
MW512.56 g/mol
LogP6.69
Rot. Bonds5

About 2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol

2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol (PubChem CID 6712794) has the molecular formula C30H28N2O6 and a molecular weight of 512.56 g/mol. Its IUPAC name is 2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol.

Molecular Properties

Compound Name2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol
PubChem CID6712794
Molecular FormulaC30H28N2O6
Molecular Weight512.56 g/mol
Exact Mass512.19
IUPAC Name2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol
SMILESCOc1cc(OC)c2[nH]c3c(O)c(-c4c(C)cc5c([nH]c6c(OC)cc(OC)cc65)c4O)c(C)cc3c2c1
InChIInChI=1S/C30H28N2O6/c1-13-7-17-19-9-15(35-3)11-21(37-5)25(19)31-27(17)29(33)23(13)24-14(2)8-18-20-10-16(36-4)12-22(38-6)26(20)32-28(18)30(24)34/h7-12,31-34H,1-6H3
InChIKeyWJTUKKSXDIWQAM-UHFFFAOYSA-N
XLogP6.69
TPSA108.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.56
LogP ≤ 56.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol?
The IUPAC name of 2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol (CID 6712794) is 2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol.
What is the SMILES notation for 2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol?
The canonical SMILES for 2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol is COc1cc(OC)c2[nH]c3c(O)c(-c4c(C)cc5c([nH]c6c(OC)cc(OC)cc65)c4O)c(C)cc3c2c1.
What is the InChIKey of 2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol?
The InChIKey is WJTUKKSXDIWQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O6/c1-13-7-17-19-9-15(35-3)11-21(37-5)25(19)31-27(17)29(33)23(13)24-14(2)8-18-20-10-16(36-4)12-22(38-6)26(20)32-28(18)30(24)34/h7-12,31-34H,1-6H3.
What are the key properties of 2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol?
2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol has a molecular weight of 512.56 g/mol, XLogP of 6.69, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-6,8-dimethoxy-3-methyl-9H-carbazol-2-yl)-6,8-dimethoxy-3-methyl-9H-carbazol-1-ol is sourced from PubChem (CID 6712794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).