4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene

C115H140N6O5 — CID 167588391

IUPAC4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene
SMILESC=C1C=Cc2cccc(C(C)(C)C)c2C1.C=C1Cc2c(cccc2C(C)(C)C)N1.C=C1Cc2c(cccc2C(C)(C)C)N1.C=C1Nc2c(cccc2C(C)(C)C)O1.C=C1Nc2cccc(C(C)(C)C)c2O1.CC(C)(C)c1cccc2c1C(=O)CC=C2.CC(C)(C)c1cccc2c1C(=O)CC=N2.CC(C)(C)c1cccc2c1N=CCC2=O.c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H18.C14H16O.2C13H15NO.2C13H17N.2C12H15NO.C10H12/c1-11-8-9-12-6-5-7-14(13(12)10-11)15(2,3)4;1-14(2,3)11-8-4-6-10-7-5-9-12(15)13(10)11;1-13(2,3)9-5-4-6-10-12(9)11(15)7-8-14-10;1-13(2,3)10-6-4-5-9-11(15)7-8-14-12(9)10;2*1-9-8-10-11(13(2,3)4)6-5-7-12(10)14-9;1-8-13-11-9(12(2,3)4)6-5-7-10(11)14-8;1-8-13-10-7-5-6-9(11(10)14-8)12(2,3)4;1-2-6-10-8-4-3-7-9(10)5-1/h5-9H,1,10H2,2-4H3;4-8H,9H2,1-3H3;2*4-6,8H,7H2,1-3H3;2*5-7,14H,1,8H2,2-4H3;2*5-7,13H,1H2,2-4H3;1-2,5-6H,3-4,7-8H2
InChIKeyICHFEGDEMZZHAB-UHFFFAOYSA-N
MW1686.42 g/mol
LogP30.26
Rot. Bonds

About 4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene

4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene (PubChem CID 167588391) has the molecular formula C115H140N6O5 and a molecular weight of 1686.42 g/mol. Its IUPAC name is 4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene
PubChem CID167588391
Molecular FormulaC115H140N6O5
Molecular Weight1686.42 g/mol
Exact Mass1685.09
IUPAC Name4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene
SMILESC=C1C=Cc2cccc(C(C)(C)C)c2C1.C=C1Cc2c(cccc2C(C)(C)C)N1.C=C1Cc2c(cccc2C(C)(C)C)N1.C=C1Nc2c(cccc2C(C)(C)C)O1.C=C1Nc2cccc(C(C)(C)C)c2O1.CC(C)(C)c1cccc2c1C(=O)CC=C2.CC(C)(C)c1cccc2c1C(=O)CC=N2.CC(C)(C)c1cccc2c1N=CCC2=O.c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H18.C14H16O.2C13H15NO.2C13H17N.2C12H15NO.C10H12/c1-11-8-9-12-6-5-7-14(13(12)10-11)15(2,3)4;1-14(2,3)11-8-4-6-10-7-5-9-12(15)13(10)11;1-13(2,3)9-5-4-6-10-12(9)11(15)7-8-14-10;1-13(2,3)10-6-4-5-9-11(15)7-8-14-12(9)10;2*1-9-8-10-11(13(2,3)4)6-5-7-12(10)14-9;1-8-13-11-9(12(2,3)4)6-5-7-10(11)14-8;1-8-13-10-7-5-6-9(11(10)14-8)12(2,3)4;1-2-6-10-8-4-3-7-9(10)5-1/h5-9H,1,10H2,2-4H3;4-8H,9H2,1-3H3;2*4-6,8H,7H2,1-3H3;2*5-7,14H,1,8H2,2-4H3;2*5-7,13H,1H2,2-4H3;1-2,5-6H,3-4,7-8H2
InChIKeyICHFEGDEMZZHAB-UHFFFAOYSA-N
XLogP30.26
TPSA142.51 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001686.42
LogP ≤ 530.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

deuterium monohydride;ethane;3,3,5,6,6',7'-hexamethylspiro[1H-indole-2,3'-benzo[f][1,4]benzoxazine];7-methyl-3a,4-dihydroindene-1,3-dione;3,3,5,6,8'-pentamethylspiro[1H-indole-2,2'-benzo[h][1,4]benzoxazine]
CID 159077475
CID 159214111
CID 159214111
1-tert-butyl-4-(3-methylbutyl)benzene;3,3-dimethyl-6-propan-2-yl-1H-inden-2-one;3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;1-ethyl-4-(3-methylbutyl)benzene;1-methyl-2-(3-methylbutyl)benzene;1-methyl-3-(3-methylbutyl)benzene;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-1H-indene;5-propan-2-yl-3H-indole
CID 159250548
2-methylidene-3H-1,3-benzoxazole;bis(2-methylidene-1,3-dihydroindole);2-methylidene-1H-naphthalene;2H-naphthalen-1-one;3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene
CID 167667398
8-tert-butyl-1,2-dihydroisoquinoline;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);7-tert-butyl-2-methylidene-1,3-dihydroindole;8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one
CID 167669841
8-tert-butyl-1,2-dihydronaphthalene;4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-1H-naphthalen-2-one;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one
CID 167694887
3-(3,3-dimethylspiro[1H-indole-2,3'-benzo[f][1,4]benzoxazine]-8'-yl)benzo[b]phenalen-7-one
CID 170414757
3-(3,3-dimethylspiro[1H-indole-2,3'-benzo[f][1,4]benzoxazine]-8'-yl)phenanthrene-9,10-dione
CID 170414803
2-(3,3-dimethylspiro[1H-indole-2,3'-benzo[f][1,4]benzoxazine]-8'-yl)fluoren-9-one
CID 170585358
1-[4-(3,3-dimethylspiro[1H-indole-2,3'-benzo[f][1,4]benzoxazine]-8'-yl)phenyl]-2-phenylethane-1,2-dione
CID 172312441

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene (CID 167588391) is 4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene is C=C1C=Cc2cccc(C(C)(C)C)c2C1.C=C1Cc2c(cccc2C(C)(C)C)N1.C=C1Cc2c(cccc2C(C)(C)C)N1.C=C1Nc2c(cccc2C(C)(C)C)O1.C=C1Nc2cccc(C(C)(C)C)c2O1.CC(C)(C)c1cccc2c1C(=O)CC=C2.CC(C)(C)c1cccc2c1C(=O)CC=N2.CC(C)(C)c1cccc2c1N=CCC2=O.c1ccc2c(c1)CCCC2.
What is the InChIKey of 4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene?
The InChIKey is ICHFEGDEMZZHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C14H16O.2C13H15NO.2C13H17N.2C12H15NO.C10H12/c1-11-8-9-12-6-5-7-14(13(12)10-11)15(2,3)4;1-14(2,3)11-8-4-6-10-7-5-9-12(15)13(10)11;1-13(2,3)9-5-4-6-10-12(9)11(15)7-8-14-10;1-13(2,3)10-6-4-5-9-11(15)7-8-14-12(9)10;2*1-9-8-10-11(13(2,3)4)6-5-7-12(10)14-9;1-8-13-11-9(12(2,3)4)6-5-7-10(11)14-8;1-8-13-10-7-5-6-9(11(10)14-8)12(2,3)4;1-2-6-10-8-4-3-7-9(10)5-1/h5-9H,1,10H2,2-4H3;4-8H,9H2,1-3H3;2*4-6,8H,7H2,1-3H3;2*5-7,14H,1,8H2,2-4H3;2*5-7,13H,1H2,2-4H3;1-2,5-6H,3-4,7-8H2.
What are the key properties of 4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene?
4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene has a molecular weight of 1686.42 g/mol, XLogP of 30.26, 0 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methylidene-3H-1,3-benzoxazole;7-tert-butyl-2-methylidene-3H-1,3-benzoxazole;bis(4-tert-butyl-2-methylidene-1,3-dihydroindole);8-tert-butyl-2-methylidene-1H-naphthalene;8-tert-butyl-2H-naphthalen-1-one;5-tert-butyl-3H-quinolin-4-one;8-tert-butyl-3H-quinolin-4-one;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 167588391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).