methyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate

C25H29NO2 — CID 71584533

IUPACmethyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(ccn2-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C25H29NO2/c1-16-13-19-20(25(4,5)11-10-24(19,2)3)15-22(16)26-12-9-17-14-18(23(27)28-6)7-8-21(17)26/h7-9,12-15H,10-11H2,1-6H3
InChIKeyAIJAHOFWDVBVQL-UHFFFAOYSA-N
MW375.51 g/mol
LogP6.07
Rot. Bonds2

About methyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate

methyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate (PubChem CID 71584533) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is methyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate
PubChem CID71584533
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Namemethyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(ccn2-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C25H29NO2/c1-16-13-19-20(25(4,5)11-10-24(19,2)3)15-22(16)26-12-9-17-14-18(23(27)28-6)7-8-21(17)26/h7-9,12-15H,10-11H2,1-6H3
InChIKeyAIJAHOFWDVBVQL-UHFFFAOYSA-N
XLogP6.07
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylate
CID 46835966
methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate
CID 170651487
4-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)benzoic acid
CID 54058308
methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
CID 21185946
methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate
CID 10669381
methyl 1-[3-(difluoromethoxy)phenyl]indole-5-carboxylate
CID 163242205
methyl 4-[1-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrol-2-yl]benzoate
CID 14726514
methyl 6-[(E)-N-methoxy-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]naphthalene-2-carboxylate
CID 10622500
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
methyl 1-[(3-methylphenyl)methyl]indole-5-carboxylate
CID 156703114
2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid
CID 10812545

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate?
The IUPAC name of methyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate (CID 71584533) is methyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate.
What is the SMILES notation for methyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate?
The canonical SMILES for methyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate is COC(=O)c1ccc2c(ccn2-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1.
What is the InChIKey of methyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate?
The InChIKey is AIJAHOFWDVBVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-16-13-19-20(25(4,5)11-10-24(19,2)3)15-22(16)26-12-9-17-14-18(23(27)28-6)7-8-21(17)26/h7-9,12-15H,10-11H2,1-6H3.
What are the key properties of methyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate?
methyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate has a molecular weight of 375.51 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)indole-5-carboxylate is sourced from PubChem (CID 71584533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).