tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate

C30H34N2O4 — CID 162263594

IUPACtert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate
SMILESCc1c(C=Cc2c(C)c3ccccc3n2C(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C30H34N2O4/c1-19-21-13-9-11-15-25(21)31(27(33)35-29(3,4)5)23(19)17-18-24-20(2)22-14-10-12-16-26(22)32(24)28(34)36-30(6,7)8/h9-18H,1-8H3
InChIKeyZZPBGZSZYRTXDE-UHFFFAOYSA-N
MW486.61 g/mol
LogP7.95
Rot. Bonds2

About tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate

tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate (PubChem CID 162263594) has the molecular formula C30H34N2O4 and a molecular weight of 486.61 g/mol. Its IUPAC name is tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate
PubChem CID162263594
Molecular FormulaC30H34N2O4
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC Nametert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate
SMILESCc1c(C=Cc2c(C)c3ccccc3n2C(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C30H34N2O4/c1-19-21-13-9-11-15-25(21)31(27(33)35-29(3,4)5)23(19)17-18-24-20(2)22-14-10-12-16-26(22)32(24)28(34)36-30(6,7)8/h9-18H,1-8H3
InChIKeyZZPBGZSZYRTXDE-UHFFFAOYSA-N
XLogP7.95
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate with MolForge

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Related Compounds

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CID 122227437
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1-O-tert-butyl 2-O-ethyl 3-hydroxyindole-1,2-dicarboxylate
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tert-butyl 3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate
CID 118368388
tert-butyl 2-bromo-3-carbamoylindole-1-carboxylate
CID 175318804
tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate
CID 84819280
tert-butyl 8-oxo-6,7,9,10-tetrahydrocyclohepta[b]indole-5-carboxylate
CID 102202923
9-O-tert-butyl 4-O-methyl carbazole-4,9-dicarboxylate
CID 132516778
tert-butyl 1-methyl-3-oxo-1H-furo[3,4-b]indole-4-carboxylate
CID 102142991

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate (CID 162263594) is tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate is Cc1c(C=Cc2c(C)c3ccccc3n2C(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)c2ccccc12.
What is the InChIKey of tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate?
The InChIKey is ZZPBGZSZYRTXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O4/c1-19-21-13-9-11-15-25(21)31(27(33)35-29(3,4)5)23(19)17-18-24-20(2)22-14-10-12-16-26(22)32(24)28(34)36-30(6,7)8/h9-18H,1-8H3.
What are the key properties of tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate?
tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate has a molecular weight of 486.61 g/mol, XLogP of 7.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate is sourced from PubChem (CID 162263594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).