4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole

C32H29NO5 — CID 167713832

IUPAC4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole
SMILESCOc1ccccc1-c1cc2c(-c3ccccc3OC)c3c(c(-c4ccccc4OC)c2[nH]1)OC(C)(C)O3
InChIInChI=1S/C32H29NO5/c1-32(2)37-30-27(20-13-7-10-16-25(20)35-4)22-18-23(19-12-6-9-15-24(19)34-3)33-29(22)28(31(30)38-32)21-14-8-11-17-26(21)36-5/h6-18,33H,1-5H3
InChIKeySIZXEVIIRQBHQX-UHFFFAOYSA-N
MW507.59 g/mol
LogP7.70
Rot. Bonds6

About 4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole

4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole (PubChem CID 167713832) has the molecular formula C32H29NO5 and a molecular weight of 507.59 g/mol. Its IUPAC name is 4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole.

Molecular Properties

Compound Name4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole
PubChem CID167713832
Molecular FormulaC32H29NO5
Molecular Weight507.59 g/mol
Exact Mass507.20
IUPAC Name4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole
SMILESCOc1ccccc1-c1cc2c(-c3ccccc3OC)c3c(c(-c4ccccc4OC)c2[nH]1)OC(C)(C)O3
InChIInChI=1S/C32H29NO5/c1-32(2)37-30-27(20-13-7-10-16-25(20)35-4)22-18-23(19-12-6-9-15-24(19)34-3)33-29(22)28(31(30)38-32)21-14-8-11-17-26(21)36-5/h6-18,33H,1-5H3
InChIKeySIZXEVIIRQBHQX-UHFFFAOYSA-N
XLogP7.70
TPSA61.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole?
The IUPAC name of 4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole (CID 167713832) is 4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole.
What is the SMILES notation for 4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole?
The canonical SMILES for 4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole is COc1ccccc1-c1cc2c(-c3ccccc3OC)c3c(c(-c4ccccc4OC)c2[nH]1)OC(C)(C)O3.
What is the InChIKey of 4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole?
The InChIKey is SIZXEVIIRQBHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO5/c1-32(2)37-30-27(20-13-7-10-16-25(20)35-4)22-18-23(19-12-6-9-15-24(19)34-3)33-29(22)28(31(30)38-32)21-14-8-11-17-26(21)36-5/h6-18,33H,1-5H3.
What are the key properties of 4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole?
4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole has a molecular weight of 507.59 g/mol, XLogP of 7.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-tris(2-methoxyphenyl)-2,2-dimethyl-5H-[1,3]dioxolo[4,5-f]indole is sourced from PubChem (CID 167713832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).