5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene

C124H155N7O2 — CID 158407732

IUPAC5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=NC2.CC(C)(C)c1cccc2c1CCCC2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2cccnc12
InChIInChI=1S/C14H20.2C13H15N.2C13H16.3C12H15N.C11H14N2.C11H14O2/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h6,8,10H,4-5,7,9H2,1-3H3;2*4-9H,1-3H3;4-5,7-9H,6H2,1-3H3;4,6-9H,5H2,1-3H3;4-8,13H,1-3H3;4-6,8H,7H2,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6H,7H2,1-3H3
InChIKeyGYXHLFLLXZZPQS-UHFFFAOYSA-N
MW1775.65 g/mol
LogP33.45
Rot. Bonds

About 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene

5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 158407732) has the molecular formula C124H155N7O2 and a molecular weight of 1775.65 g/mol. Its IUPAC name is 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene
PubChem CID158407732
Molecular FormulaC124H155N7O2
Molecular Weight1775.65 g/mol
Exact Mass1774.22
IUPAC Name5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=NC2.CC(C)(C)c1cccc2c1CCCC2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2cccnc12
InChIInChI=1S/C14H20.2C13H15N.2C13H16.3C12H15N.C11H14N2.C11H14O2/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h6,8,10H,4-5,7,9H2,1-3H3;2*4-9H,1-3H3;4-5,7-9H,6H2,1-3H3;4,6-9H,5H2,1-3H3;4-8,13H,1-3H3;4-6,8H,7H2,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6H,7H2,1-3H3
InChIKeyGYXHLFLLXZZPQS-UHFFFAOYSA-N
XLogP33.45
TPSA116.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001775.65
LogP ≤ 533.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;2-tert-butylquinoline;8-tert-butylquinoline
CID 158687537
4-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;bis(4-tert-butylisoquinoline);5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;4-tert-butyl-1H-quinolin-2-one;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;cumene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 162034077
3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane
CID 167617258
5-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;6-tert-butyl-1H-indole;ethane
CID 165013385
6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);ethane
CID 167669523
6-tert-butyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;ethane
CID 167618466
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole
CID 159501951
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1H-indazole;6-tert-butyl-3H-indole;5-tert-butyl-1H-isoindole
CID 160793170
7H-pyrrolo[3,4-h]quinoline
CID 68933601
1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;1H-indole;naphthalene
CID 159812743
9-tert-butyl-3H-cyclopenta[a]naphthalene
CID 148527121
1,3-benzodioxole;2,3-dihydro-1-benzofuran;1H-indene;3H-indole;quinoline
CID 159271279

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene (CID 158407732) is 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene is CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=NC2.CC(C)(C)c1cccc2c1CCCC2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2cccnc12.
What is the InChIKey of 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is GYXHLFLLXZZPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.2C13H15N.2C13H16.3C12H15N.C11H14N2.C11H14O2/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h6,8,10H,4-5,7,9H2,1-3H3;2*4-9H,1-3H3;4-5,7-9H,6H2,1-3H3;4,6-9H,5H2,1-3H3;4-8,13H,1-3H3;4-6,8H,7H2,1-3H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6H,7H2,1-3H3.
What are the key properties of 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene?
5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 1775.65 g/mol, XLogP of 33.45, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-isoindole;2-tert-butylquinoline;8-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 158407732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).