ethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole

C289H436N20O4 — CID 158523934

IUPACethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
SMILESC.C=C1Cc2c(cccc2C(C)C)N1.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Cc2ccc(C(C)C)cc2N1.C=C1Cc2cccc(C(C)C)c2N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1NCC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2ccoc12.CC(C)c1cccc2occc12
InChIInChI=1S/4C12H15N.2C12H16.C11H15N.C11H13N.C11H15N.C11H13N.C11H15N.C11H13N.C11H15N.C11H13N.4C11H12O.4C10H12N2.22C2H6.CH4/c1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;1-8(2)10-5-4-6-12-11(10)7-9(3)13-12;1-8(2)11-6-4-5-10-7-9(3)13-12(10)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-7(2)8-4-3-5-9-10(8)12-6-11-9;22*1-2;/h2*4-5,7-8,13H,3,6H2,1-2H3;2*4-6,8,13H,3,7H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;6-9H,3-5H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-8,12H,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-8,12H,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;4*3-8H,1-2H3;4*3-7H,1-2H3,(H,11,12);22*1-2H3;1H4
InChIKeyHMOCJXBTWRQZKV-UHFFFAOYSA-N
MW4254.80 g/mol
LogP92.22
Rot. Bonds22

About ethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole

ethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole (PubChem CID 158523934) has the molecular formula C289H436N20O4 and a molecular weight of 4254.80 g/mol. Its IUPAC name is ethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole.

Molecular Properties

Compound Nameethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
PubChem CID158523934
Molecular FormulaC289H436N20O4
Molecular Weight4254.80 g/mol
Exact Mass4251.45
IUPAC Nameethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
SMILESC.C=C1Cc2c(cccc2C(C)C)N1.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Cc2ccc(C(C)C)cc2N1.C=C1Cc2cccc(C(C)C)c2N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1NCC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2ccoc12.CC(C)c1cccc2occc12
InChIInChI=1S/4C12H15N.2C12H16.C11H15N.C11H13N.C11H15N.C11H13N.C11H15N.C11H13N.C11H15N.C11H13N.4C11H12O.4C10H12N2.22C2H6.CH4/c1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;1-8(2)10-5-4-6-12-11(10)7-9(3)13-12;1-8(2)11-6-4-5-10-7-9(3)13-12(10)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-7(2)8-4-3-5-9-10(8)12-6-11-9;22*1-2;/h2*4-5,7-8,13H,3,6H2,1-2H3;2*4-6,8,13H,3,7H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;6-9H,3-5H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-8,12H,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-8,12H,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;4*3-8H,1-2H3;4*3-7H,1-2H3,(H,11,12);22*1-2H3;1H4
InChIKeyHMOCJXBTWRQZKV-UHFFFAOYSA-N
XLogP92.22
TPSA326.68 Ų
H-Bond Donors16
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms313
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004254.80
LogP ≤ 592.22
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1016

Analyze ethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole with MolForge

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Related Compounds

Velpatasvir
CID 67683363
methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 67681739
methyl N-[(1R)-2-[(2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 67682380
methyl N-[(1R)-2-[(2S)-2-[17-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 67682413
methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 67682880
2-Desmethyl-3-methylvelpatasvir
CID 86688348
methyl {(2S)-1-[(2S,5 S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl}-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate
CID 86688381
methyl N-[2-[2-[5-[6-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 77335690
methyl N-[(2S)-1-[(2S)-2-[5-[3-fluoro-2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-1-benzofuran-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 53339877
(2S)-2-amino-1-[(2S)-2-[7-[5-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-fluoro-1-benzofuran-2-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 68274171
methyl N-[(2S)-1-[(2S)-2-[7-[5-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-fluoro-1-benzofuran-2-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 89638930
1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione;1-(1-benzofuran-5-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 159083158

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
The IUPAC name of ethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole (CID 158523934) is ethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole.
What is the SMILES notation for ethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
The canonical SMILES for ethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole is C.C=C1Cc2c(cccc2C(C)C)N1.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Cc2ccc(C(C)C)cc2N1.C=C1Cc2cccc(C(C)C)c2N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1NCC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2ccoc12.CC(C)c1cccc2occc12.
What is the InChIKey of ethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
The InChIKey is HMOCJXBTWRQZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H15N.2C12H16.C11H15N.C11H13N.C11H15N.C11H13N.C11H15N.C11H13N.C11H15N.C11H13N.4C11H12O.4C10H12N2.22C2H6.CH4/c1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-8(2)10-4-5-11-6-9(3)13-12(11)7-10;1-8(2)10-5-4-6-12-11(10)7-9(3)13-12;1-8(2)11-6-4-5-10-7-9(3)13-12(10)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-7(2)8-4-3-5-9-10(8)12-6-11-9;22*1-2;/h2*4-5,7-8,13H,3,6H2,1-2H3;2*4-6,8,13H,3,7H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;6-9H,3-5H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-8,12H,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-8,12H,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;4*3-8H,1-2H3;4*3-7H,1-2H3,(H,11,12);22*1-2H3;1H4.
What are the key properties of ethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
ethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole has a molecular weight of 4254.80 g/mol, XLogP of 92.22, 22 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-1,3-dihydroindole;2-methylidene-7-propan-2-yl-1,3-dihydroindole;bis(4-propan-2-yl-1H-benzimidazole);bis(6-propan-2-yl-1H-benzimidazole);4-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole is sourced from PubChem (CID 158523934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).