1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole

C26H28N2O8 — CID 171933970

IUPAC1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole
SMILESCOc1cc2c([nH]c3c4[nH]c5c(OC)c(OC)c(OC)cc5c4c(OC)c(OC)c23)c(OC)c1OC
InChIInChI=1S/C26H28N2O8/c1-29-13-9-11-15-19(27-17(11)25(35-7)21(13)31-3)20-16(24(34-6)23(15)33-5)12-10-14(30-2)22(32-4)26(36-8)18(12)28-20/h9-10,27-28H,1-8H3
InChIKeyUIMGBSBDNHFQJJ-UHFFFAOYSA-N
MW496.52 g/mol
LogP5.02
Rot. Bonds8

About 1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole

1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole (PubChem CID 171933970) has the molecular formula C26H28N2O8 and a molecular weight of 496.52 g/mol. Its IUPAC name is 1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole
PubChem CID171933970
Molecular FormulaC26H28N2O8
Molecular Weight496.52 g/mol
Exact Mass496.18
IUPAC Name1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole
SMILESCOc1cc2c([nH]c3c4[nH]c5c(OC)c(OC)c(OC)cc5c4c(OC)c(OC)c23)c(OC)c1OC
InChIInChI=1S/C26H28N2O8/c1-29-13-9-11-15-19(27-17(11)25(35-7)21(13)31-3)20-16(24(34-6)23(15)33-5)12-10-14(30-2)22(32-4)26(36-8)18(12)28-20/h9-10,27-28H,1-8H3
InChIKeyUIMGBSBDNHFQJJ-UHFFFAOYSA-N
XLogP5.02
TPSA105.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.52
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,3,5,6,8,9-hexamethoxy-11,12-dihydroindolo[2,3-a]carbazole
CID 171935893
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 102452050
3-chloro-1,5,6,7-tetramethoxy-9H-carbazole
CID 171714852
6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid
CID 110181566
1,2,5,8-tetramethoxy-9H-carbazole
CID 171715062
6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene
CID 171933927
1,2,3,8-tetramethoxynaphthalene
CID 91328449
2,3,8,9,14,15,20,21-octamethoxy-25,26-dithiaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 135032136
5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione
CID 10659352
3-(2,4-dimethoxyphenyl)-6,7,8-trimethoxy-2-sulfanylidene-1H-quinazolin-4-one
CID 42806006
2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole
CID 82086470
4-(2,3,4,6-tetramethoxyphenyl)benzonitrile
CID 11771002

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole (CID 171933970) is 1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole is COc1cc2c([nH]c3c4[nH]c5c(OC)c(OC)c(OC)cc5c4c(OC)c(OC)c23)c(OC)c1OC.
What is the InChIKey of 1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole?
The InChIKey is UIMGBSBDNHFQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O8/c1-29-13-9-11-15-19(27-17(11)25(35-7)21(13)31-3)20-16(24(34-6)23(15)33-5)12-10-14(30-2)22(32-4)26(36-8)18(12)28-20/h9-10,27-28H,1-8H3.
What are the key properties of 1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole?
1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole has a molecular weight of 496.52 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,8,9,10-octamethoxy-11,12-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 171933970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).