9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline

C278H334ClN9OS2 — CID 161475739

IUPAC9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline
SMILESCC(C)CC1c2ccccc2-c2ccccc21.CC(C)Cc1c2ccccc2c(Cl)c2ccccc12.CC(C)Cc1c2ccccc2cc2ccccc12.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1cc2ccccc2[nH]1.CC(C)Cc1cc2ccccc2o1.CC(C)Cc1cc2ccccc2s1.CC(C)Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.CC(C)Cc1ccc(-c2ccccc2)cc1.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1ccc2ccccc2n1.CC(C)Cc1ccc2ncccc2c1.CC(C)Cc1cccc2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccnc2ccccc12.CC(C)Cc1ccncc1.CC(C)Cc1cnc2ccccc2c1.CC(C)Cc1csc2ccccc12.CCC(C)C.CCC(C)C
InChIInChI=1S/C22H22.C18H17Cl.C18H18.C17H18.C16H18.2C14H16.4C13H15N.2C12H15N.C12H14O.2C12H14S.C10H14.3C9H13N.2C5H12/c1-17(2)16-18-8-10-20(11-9-18)22-14-12-21(13-15-22)19-6-4-3-5-7-19;1-12(2)11-17-13-7-3-5-9-15(13)18(19)16-10-6-4-8-14(16)17;1-13(2)11-18-16-9-5-3-7-14(16)12-15-8-4-6-10-17(15)18;1-12(2)11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;1-13(2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)7-11-8-12-5-3-4-6-13(12)14-9-11;1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13;1-10(2)9-12-8-7-11-5-3-4-6-13(11)14-12;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;2*1-9(2)7-11-8-10-5-3-4-6-12(10)13-11;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)7-11-8-10-5-3-4-6-12(10)13-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;2*1-4-5(2)3/h3-15,17H,16H2,1-2H3;3-10,12H,11H2,1-2H3;3-10,12-13H,11H2,1-2H3;3-10,12,17H,11H2,1-2H3;3-11,13H,12H2,1-2H3;3-9,11H,10H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-6,8-10H,7H2,1-2H3;2*3-8,10H,9H2,1-2H3;2*3-6,8-9,13H,7H2,1-2H3;3*3-6,8-9H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*5H,4H2,1-3H3
InChIKeyWDRMJTBPYPHQEY-UHFFFAOYSA-N
MW3917.38 g/mol
LogP80.86
Rot. Bonds45

About 9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline

9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline (PubChem CID 161475739) has the molecular formula C278H334ClN9OS2 and a molecular weight of 3917.38 g/mol. Its IUPAC name is 9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline.

Molecular Properties

Compound Name9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline
PubChem CID161475739
Molecular FormulaC278H334ClN9OS2
Molecular Weight3917.38 g/mol
Exact Mass3913.55
IUPAC Name9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline
SMILESCC(C)CC1c2ccccc2-c2ccccc21.CC(C)Cc1c2ccccc2c(Cl)c2ccccc12.CC(C)Cc1c2ccccc2cc2ccccc12.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1cc2ccccc2[nH]1.CC(C)Cc1cc2ccccc2o1.CC(C)Cc1cc2ccccc2s1.CC(C)Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.CC(C)Cc1ccc(-c2ccccc2)cc1.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1ccc2ccccc2n1.CC(C)Cc1ccc2ncccc2c1.CC(C)Cc1cccc2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccnc2ccccc12.CC(C)Cc1ccncc1.CC(C)Cc1cnc2ccccc2c1.CC(C)Cc1csc2ccccc12.CCC(C)C.CCC(C)C
InChIInChI=1S/C22H22.C18H17Cl.C18H18.C17H18.C16H18.2C14H16.4C13H15N.2C12H15N.C12H14O.2C12H14S.C10H14.3C9H13N.2C5H12/c1-17(2)16-18-8-10-20(11-9-18)22-14-12-21(13-15-22)19-6-4-3-5-7-19;1-12(2)11-17-13-7-3-5-9-15(13)18(19)16-10-6-4-8-14(16)17;1-13(2)11-18-16-9-5-3-7-14(16)12-15-8-4-6-10-17(15)18;1-12(2)11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;1-13(2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)7-11-8-12-5-3-4-6-13(12)14-9-11;1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13;1-10(2)9-12-8-7-11-5-3-4-6-13(11)14-12;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;2*1-9(2)7-11-8-10-5-3-4-6-12(10)13-11;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)7-11-8-10-5-3-4-6-12(10)13-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;2*1-4-5(2)3/h3-15,17H,16H2,1-2H3;3-10,12H,11H2,1-2H3;3-10,12-13H,11H2,1-2H3;3-10,12,17H,11H2,1-2H3;3-11,13H,12H2,1-2H3;3-9,11H,10H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-6,8-10H,7H2,1-2H3;2*3-8,10H,9H2,1-2H3;2*3-6,8-9,13H,7H2,1-2H3;3*3-6,8-9H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*5H,4H2,1-3H3
InChIKeyWDRMJTBPYPHQEY-UHFFFAOYSA-N
XLogP80.86
TPSA134.95 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds45
Heavy Atoms291
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003917.38
LogP ≤ 580.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline with MolForge

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Related Compounds

2-(4-acetylphenyl)-1-[(1S)-2-[4-(aminomethyl)cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanone;1-[2-[4-(aminomethyl)cyclohexanecarbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]-2-[4-(1-methoxyethenylamino)phenyl]ethanone;2-chloro-5-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 161642904
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165007738
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123724688
benzene;bis(1,1'-biphenyl);9H-carbazole;dibenzofuran;dibenzothiophene;ethane;9H-fluorene;fluoren-9-one;methane;molecular hydrogen;naphthalene;propane;heptakis(pyridine);quinoline;toluene
CID 157078199
15-(4-Dibenzofuran-4-ylnaphthalen-1-yl)-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene;15-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene;15-[4-(7-isocyano-9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 157120929
2-[2-[8-[3-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]benzo[a]tetracen-13-yl]-1-benzothiophen-3-yl]-1-benzofuran;2-[8-(1H-indol-2-yl)benzo[a]tetracen-13-yl]-1H-indole;7-[2-[8-(3-quinolin-7-yl-1-benzothiophen-2-yl)benzo[a]tetracen-13-yl]-1-benzothiophen-3-yl]quinoline
CID 157209144
18-Dibenzofuran-4-yl-21,21-diphenyl-6-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-dibenzothiophen-4-yl-21,21-diphenyl-6-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;21,21-diphenyl-18-(3-phenylcarbazol-9-yl)-6-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;21,21-diphenyl-18-(6-phenyldibenzothiophen-4-yl)-6-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 157219865
2-bromo-6-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;5-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,6-dimethylquinoline
CID 157279969
18-Dibenzofuran-4-yl-21,21-dimethyl-6-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-dibenzothiophen-4-yl-21,21-dimethyl-6-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;21,21-dimethyl-18-(3-phenylcarbazol-9-yl)-6-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;21,21-dimethyl-18-(6-phenyldibenzofuran-4-yl)-6-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;21,21-dimethyl-18-(6-phenyldibenzothiophen-4-yl)-6-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 157591660
1-benzofuran;1-benzothiophene;3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;1H-indole;isoquinoline;nonakis(2-methylpropane);quinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 157734836
18-(3-Carbazol-9-ylphenyl)-21,21-dimethyl-6-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(3-dibenzofuran-4-ylphenyl)-21,21-dimethyl-6-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;18-(3-dibenzothiophen-4-ylphenyl)-21,21-dimethyl-6-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene;21,21-dimethyl-18-triphenylen-2-yl-6-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 157738653
3-chloro-5-methyl-1H-indole;5-chloro-3-methyl-1H-indole;6-chloro-2-methyl-1H-indole;6-chloro-3-methyl-1H-indole;2,6-dimethyl-1-benzofuran;2,6-dimethyl-1-benzothiophene;2,6-dimethylquinoline;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;6-fluoro-2-methylthieno[2,3-b]pyridine
CID 157828576

Frequently Asked Questions

What is the IUPAC name of 9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline?
The IUPAC name of 9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline (CID 161475739) is 9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline.
What is the SMILES notation for 9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline?
The canonical SMILES for 9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline is CC(C)CC1c2ccccc2-c2ccccc21.CC(C)Cc1c2ccccc2c(Cl)c2ccccc12.CC(C)Cc1c2ccccc2cc2ccccc12.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1cc2ccccc2[nH]1.CC(C)Cc1cc2ccccc2o1.CC(C)Cc1cc2ccccc2s1.CC(C)Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.CC(C)Cc1ccc(-c2ccccc2)cc1.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1ccc2ccccc2n1.CC(C)Cc1ccc2ncccc2c1.CC(C)Cc1cccc2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccnc2ccccc12.CC(C)Cc1ccncc1.CC(C)Cc1cnc2ccccc2c1.CC(C)Cc1csc2ccccc12.CCC(C)C.CCC(C)C.
What is the InChIKey of 9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline?
The InChIKey is WDRMJTBPYPHQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22.C18H17Cl.C18H18.C17H18.C16H18.2C14H16.4C13H15N.2C12H15N.C12H14O.2C12H14S.C10H14.3C9H13N.2C5H12/c1-17(2)16-18-8-10-20(11-9-18)22-14-12-21(13-15-22)19-6-4-3-5-7-19;1-12(2)11-17-13-7-3-5-9-15(13)18(19)16-10-6-4-8-14(16)17;1-13(2)11-18-16-9-5-3-7-14(16)12-15-8-4-6-10-17(15)18;1-12(2)11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;1-13(2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)7-11-8-12-5-3-4-6-13(12)14-9-11;1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13;1-10(2)9-12-8-7-11-5-3-4-6-13(11)14-12;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;2*1-9(2)7-11-8-10-5-3-4-6-12(10)13-11;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)7-11-8-10-5-3-4-6-12(10)13-11;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;2*1-4-5(2)3/h3-15,17H,16H2,1-2H3;3-10,12H,11H2,1-2H3;3-10,12-13H,11H2,1-2H3;3-10,12,17H,11H2,1-2H3;3-11,13H,12H2,1-2H3;3-9,11H,10H2,1-2H3;3-8,10-11H,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-6,8-10H,7H2,1-2H3;2*3-8,10H,9H2,1-2H3;2*3-6,8-9,13H,7H2,1-2H3;3*3-6,8-9H,7H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*5H,4H2,1-3H3.
What are the key properties of 9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline?
9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline has a molecular weight of 3917.38 g/mol, XLogP of 80.86, 45 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-10-(2-methylpropyl)anthracene;bis(2-methylbutane);9-(2-methylpropyl)anthracene;2-methylpropylbenzene;2-(2-methylpropyl)-1-benzofuran;2-(2-methylpropyl)-1-benzothiophene;3-(2-methylpropyl)-1-benzothiophene;9-(2-methylpropyl)-9H-fluorene;2-(2-methylpropyl)-1H-indole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene;1-(2-methylpropyl)-4-(4-phenylphenyl)benzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)quinoline;3-(2-methylpropyl)quinoline;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline is sourced from PubChem (CID 161475739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).