2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine

C28H34N2 — CID 102517095

IUPAC2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine
SMILESCc1c(C(C)(C)C)c(/C=C/c2c(C(C)(C)C)c(C)c3ccccn23)n2ccccc12
InChIInChI=1S/C28H34N2/c1-19-21-13-9-11-17-29(21)23(25(19)27(3,4)5)15-16-24-26(28(6,7)8)20(2)22-14-10-12-18-30(22)24/h9-18H,1-8H3/b16-15+
InChIKeyROJSACSUNHXSGH-FOCLMDBBSA-N
MW398.59 g/mol
LogP7.57
Rot. Bonds2

About 2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine

2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine (PubChem CID 102517095) has the molecular formula C28H34N2 and a molecular weight of 398.59 g/mol. Its IUPAC name is 2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine.

Molecular Properties

Compound Name2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine
PubChem CID102517095
Molecular FormulaC28H34N2
Molecular Weight398.59 g/mol
Exact Mass398.27
IUPAC Name2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine
SMILESCc1c(C(C)(C)C)c(/C=C/c2c(C(C)(C)C)c(C)c3ccccn23)n2ccccc12
InChIInChI=1S/C28H34N2/c1-19-21-13-9-11-17-29(21)23(25(19)27(3,4)5)15-16-24-26(28(6,7)8)20(2)22-14-10-12-18-30(22)24/h9-18H,1-8H3/b16-15+
InChIKeyROJSACSUNHXSGH-FOCLMDBBSA-N
XLogP7.57
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine
CID 1214543
1-methoxy-2-methylindolizine-3-carbaldehyde
CID 87584045
1-bromo-3-tert-butylimidazo[1,5-a]pyridine
CID 4738514
1,3-dimethyl-2-phenylindolizine
CID 165358792
2,3-dimethylindolizine-1-carbothialdehyde
CID 4135016
1,4-ditert-butyl-2,3-dimethylnaphthalene
CID 163647560
2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine
CID 116993755
1,1,1-trifluoro-4-[2-methyl-1-(4-nitrophenyl)sulfanylindolizin-3-yl]but-3-en-2-one
CID 3917324
4-(4-methylphenyl)-7-[(E)-2-(1-methyl-2-phenylindolizin-3-yl)ethenyl]-2,1,3-benzothiadiazole
CID 130310499
9-tert-butyl-10-methylanthracene
CID 58161441
2-tert-butylindolizine-3-carbothialdehyde
CID 1214540
tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate
CID 162263594

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine?
The IUPAC name of 2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine (CID 102517095) is 2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine.
What is the SMILES notation for 2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine?
The canonical SMILES for 2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine is Cc1c(C(C)(C)C)c(/C=C/c2c(C(C)(C)C)c(C)c3ccccn23)n2ccccc12.
What is the InChIKey of 2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine?
The InChIKey is ROJSACSUNHXSGH-FOCLMDBBSA-N. The full InChI is InChI=1S/C28H34N2/c1-19-21-13-9-11-17-29(21)23(25(19)27(3,4)5)15-16-24-26(28(6,7)8)20(2)22-14-10-12-18-30(22)24/h9-18H,1-8H3/b16-15+.
What are the key properties of 2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine?
2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine has a molecular weight of 398.59 g/mol, XLogP of 7.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-[(E)-2-(2-tert-butyl-1-methylindolizin-3-yl)ethenyl]-1-methylindolizine is sourced from PubChem (CID 102517095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).