3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole

C29H24Br2N2O5 — CID 56641444

IUPAC3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole
SMILESCOc1cc2c(cc1Br)[nH]c1c2c(-c2cc(OC)c(OC)c(OC)c2)cc2[nH]c3cc(Br)c(OC)cc3c21
InChIInChI=1S/C29H24Br2N2O5/c1-34-22-9-15-20(12-18(22)31)33-28-26(15)14(13-6-24(36-3)29(38-5)25(7-13)37-4)8-21-27(28)16-10-23(35-2)17(30)11-19(16)32-21/h6-12,32-33H,1-5H3
InChIKeyWSYKNPJRNBQEDK-UHFFFAOYSA-N
MW640.33 g/mol
LogP8.19
Rot. Bonds6

About 3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole

3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole (PubChem CID 56641444) has the molecular formula C29H24Br2N2O5 and a molecular weight of 640.33 g/mol. Its IUPAC name is 3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole.

Molecular Properties

Compound Name3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole
PubChem CID56641444
Molecular FormulaC29H24Br2N2O5
Molecular Weight640.33 g/mol
Exact Mass638.01
IUPAC Name3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole
SMILESCOc1cc2c(cc1Br)[nH]c1c2c(-c2cc(OC)c(OC)c(OC)c2)cc2[nH]c3cc(Br)c(OC)cc3c21
InChIInChI=1S/C29H24Br2N2O5/c1-34-22-9-15-20(12-18(22)31)33-28-26(15)14(13-6-24(36-3)29(38-5)25(7-13)37-4)8-21-27(28)16-10-23(35-2)17(30)11-19(16)32-21/h6-12,32-33H,1-5H3
InChIKeyWSYKNPJRNBQEDK-UHFFFAOYSA-N
XLogP8.19
TPSA77.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.33
LogP ≤ 58.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole?
The IUPAC name of 3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole (CID 56641444) is 3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole.
What is the SMILES notation for 3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole?
The canonical SMILES for 3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole is COc1cc2c(cc1Br)[nH]c1c2c(-c2cc(OC)c(OC)c(OC)c2)cc2[nH]c3cc(Br)c(OC)cc3c21.
What is the InChIKey of 3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole?
The InChIKey is WSYKNPJRNBQEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Br2N2O5/c1-34-22-9-15-20(12-18(22)31)33-28-26(15)14(13-6-24(36-3)29(38-5)25(7-13)37-4)8-21-27(28)16-10-23(35-2)17(30)11-19(16)32-21/h6-12,32-33H,1-5H3.
What are the key properties of 3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole?
3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole has a molecular weight of 640.33 g/mol, XLogP of 8.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dibromo-2,9-dimethoxy-7-(3,4,5-trimethoxyphenyl)-5,12-dihydroindolo[3,2-a]carbazole is sourced from PubChem (CID 56641444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).