5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole

C22H18N2O4 — CID 10270745

IUPAC5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole
SMILESc1[nH]c2cc3c(cc2c1C1CCCc2[nH]c4cc5c(cc4c21)OCO5)OCO3
InChIInChI=1S/C22H18N2O4/c1-2-11(14-8-23-16-6-20-18(4-12(14)16)25-9-27-20)22-13-5-19-21(28-10-26-19)7-17(13)24-15(22)3-1/h4-8,11,23-24H,1-3,9-10H2
InChIKeyIKTAGNJEWPDYRH-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.57
Rot. Bonds1

About 5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole

5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole (PubChem CID 10270745) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole.

Molecular Properties

Compound Name5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole
PubChem CID10270745
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole
SMILESc1[nH]c2cc3c(cc2c1C1CCCc2[nH]c4cc5c(cc4c21)OCO5)OCO3
InChIInChI=1S/C22H18N2O4/c1-2-11(14-8-23-16-6-20-18(4-12(14)16)25-9-27-20)22-13-5-19-21(28-10-26-19)7-17(13)24-15(22)3-1/h4-8,11,23-24H,1-3,9-10H2
InChIKeyIKTAGNJEWPDYRH-UHFFFAOYSA-N
XLogP4.57
TPSA68.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)-6,7-dimethoxy-quinoline
CID 9972296
2-(5-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-ethoxy}-1H-indol-3-yl)-ethylamine
CID 10809674
1H-Indole, 3,3'-methylenebis[5-methoxy-
CID 9944370
5,6-Bis(phenylmethoxy)-1H-indole
CID 20920
Solypertine
CID 20517
5,6-Dimethoxyindole
CID 84431
3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-butyl]-5-fluoro-1H-indole
CID 11293380
4-[7-(1,2,3,6-Tetrahydro-pyridin-4-yl)-[1,3]dioxolo[4,5-f]indole-5-sulfonyl]-phenylamine
CID 44389004
3-[4-(4-Benzo[1,3]dioxol-5-yl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-5-methoxy-1H-indole
CID 44396410
Methoxymelanin
CID 189748
3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole
CID 12989853
2-(16,17-Dimethoxy-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaen-20-yl)ethanamine
CID 44156956

Frequently Asked Questions

What is the IUPAC name of 5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole?
The IUPAC name of 5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole (CID 10270745) is 5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole.
What is the SMILES notation for 5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole?
The canonical SMILES for 5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole is c1[nH]c2cc3c(cc2c1C1CCCc2[nH]c4cc5c(cc4c21)OCO5)OCO3.
What is the InChIKey of 5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole?
The InChIKey is IKTAGNJEWPDYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-2-11(14-8-23-16-6-20-18(4-12(14)16)25-9-27-20)22-13-5-19-21(28-10-26-19)7-17(13)24-15(22)3-1/h4-8,11,23-24H,1-3,9-10H2.
What are the key properties of 5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole?
5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole has a molecular weight of 374.40 g/mol, XLogP of 4.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-6,7,8,9-tetrahydro-5H-[1,3]dioxolo[4,5-b]carbazole is sourced from PubChem (CID 10270745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).