6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole

C153H133N7O2S — CID 158276464

IUPAC6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole
SMILESCOc1ccc(C(C)c2ccc3cc(-c4ccc(C)cc4)[nH]c3c2)cc1.Cc1ccc(-c2cc3ccc(C(C)c4ccc(-c5ccccc5)cc4)cc3[nH]2)cc1.Cc1ccc(-c2cc3ccc(C(C)c4ccc(C=O)cc4)cc3[nH]2)cc1.Cc1ccc(-c2cc3ccc(C(C)c4ccc5ccc6cccc7ccc4c5c67)cc3[nH]2)cc1.Cc1ccc(-c2cc3ccc(C(C)c4ccncc4)cc3[nH]2)cc1.Cc1ccc(-c2cc3ccc(C(C)c4ccsc4)cc3[nH]2)cc1
InChIInChI=1S/C33H25N.C29H25N.C24H21NO.C24H23NO.C22H20N2.C21H19NS/c1-20-6-8-22(9-7-20)30-19-27-13-12-26(18-31(27)34-30)21(2)28-16-14-25-11-10-23-4-3-5-24-15-17-29(28)33(25)32(23)24;1-20-8-10-25(11-9-20)28-19-27-17-16-26(18-29(27)30-28)21(2)22-12-14-24(15-13-22)23-6-4-3-5-7-23;1-16-3-7-20(8-4-16)23-14-22-12-11-21(13-24(22)25-23)17(2)19-9-5-18(15-26)6-10-19;1-16-4-6-19(7-5-16)23-15-21-9-8-20(14-24(21)25-23)17(2)18-10-12-22(26-3)13-11-18;1-15-3-5-18(6-4-15)21-14-20-8-7-19(13-22(20)24-21)16(2)17-9-11-23-12-10-17;1-14-3-5-16(6-4-14)20-12-18-8-7-17(11-21(18)22-20)15(2)19-9-10-23-13-19/h3-19,21,34H,1-2H3;3-19,21,30H,1-2H3;3-15,17,25H,1-2H3;4-15,17,25H,1-3H3;3-14,16,24H,1-2H3;3-13,15,22H,1-2H3
InChIKeyGJQYSTPASGGMNB-UHFFFAOYSA-N
MW2133.86 g/mol
LogP41.61
Rot. Bonds21

About 6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole

6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole (PubChem CID 158276464) has the molecular formula C153H133N7O2S and a molecular weight of 2133.86 g/mol. Its IUPAC name is 6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole.

Molecular Properties

Compound Name6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole
PubChem CID158276464
Molecular FormulaC153H133N7O2S
Molecular Weight2133.86 g/mol
Exact Mass2132.02
IUPAC Name6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole
SMILESCOc1ccc(C(C)c2ccc3cc(-c4ccc(C)cc4)[nH]c3c2)cc1.Cc1ccc(-c2cc3ccc(C(C)c4ccc(-c5ccccc5)cc4)cc3[nH]2)cc1.Cc1ccc(-c2cc3ccc(C(C)c4ccc(C=O)cc4)cc3[nH]2)cc1.Cc1ccc(-c2cc3ccc(C(C)c4ccc5ccc6cccc7ccc4c5c67)cc3[nH]2)cc1.Cc1ccc(-c2cc3ccc(C(C)c4ccncc4)cc3[nH]2)cc1.Cc1ccc(-c2cc3ccc(C(C)c4ccsc4)cc3[nH]2)cc1
InChIInChI=1S/C33H25N.C29H25N.C24H21NO.C24H23NO.C22H20N2.C21H19NS/c1-20-6-8-22(9-7-20)30-19-27-13-12-26(18-31(27)34-30)21(2)28-16-14-25-11-10-23-4-3-5-24-15-17-29(28)33(25)32(23)24;1-20-8-10-25(11-9-20)28-19-27-17-16-26(18-29(27)30-28)21(2)22-12-14-24(15-13-22)23-6-4-3-5-7-23;1-16-3-7-20(8-4-16)23-14-22-12-11-21(13-24(22)25-23)17(2)19-9-5-18(15-26)6-10-19;1-16-4-6-19(7-5-16)23-15-21-9-8-20(14-24(21)25-23)17(2)18-10-12-22(26-3)13-11-18;1-15-3-5-18(6-4-15)21-14-20-8-7-19(13-22(20)24-21)16(2)17-9-11-23-12-10-17;1-14-3-5-16(6-4-14)20-12-18-8-7-17(11-21(18)22-20)15(2)19-9-10-23-13-19/h3-19,21,34H,1-2H3;3-19,21,30H,1-2H3;3-15,17,25H,1-2H3;4-15,17,25H,1-3H3;3-14,16,24H,1-2H3;3-13,15,22H,1-2H3
InChIKeyGJQYSTPASGGMNB-UHFFFAOYSA-N
XLogP41.61
TPSA133.93 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002133.86
LogP ≤ 541.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole with MolForge

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Related Compounds

cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158835435
4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
CID 159644134
2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;trihydrochloride
CID 160348180
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-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 123289308
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
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
3-[5-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,2-thiazole
CID 141347789
9H-carbazole;3-dibenzofuran-2-yl-5-(8-dibenzothiophen-4-yldibenzofuran-2-yl)pyridine
CID 144548905
benzo[e][1]benzofuran;benzo[e][1]benzothiole;3H-benzo[e]indole;3H-cyclopenta[a]naphthalene;2H-naphthalen-2-ide;yttrium
CID 157055690
1-[4-Dibenzofuran-2-yl-2,6-di(propan-2-yl)phenyl]-2-phenylpyrrole;9-ethyl-3-[4-(2-phenylpyrrol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole;1-[4-(5-methylthiophen-2-yl)-2,6-di(propan-2-yl)phenyl]-2-phenylpyrrole;9-phenyl-3-[4-(2-phenylpyrrol-1-yl)-3,5-di(propan-2-yl)phenyl]carbazole;2-phenyl-1-[4-(5-phenylthiophen-2-yl)-2,6-di(propan-2-yl)phenyl]pyrrole
CID 157059643
3-cyclohexa-1,3-dien-1-yl-4-dibenzothiophen-4-yl-N-(4-phenylphenyl)-N-[(1E,3E)-4-(4-phenylphenyl)hexa-1,3,5-trienyl]aniline;3-cyclohexa-1,3-dien-1-yl-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-phenylphenyl)aniline;4-dibenzofuran-4-yl-3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-N-(4-phenylphenyl)aniline;3,4-diphenyl-N-[(1E,3E)-4-(4-phenylcyclohexa-1,5-dien-1-yl)hexa-1,3,5-trienyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-1-yl-3-phenyl-N-[4-[(1E,3E)-4-phenylhexa-1,3,5-trienyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-[(1E)-4-phenylhexa-1,5-dienyl]phenyl]-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline
CID 157073700

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole?
The IUPAC name of 6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole (CID 158276464) is 6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole.
What is the SMILES notation for 6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole?
The canonical SMILES for 6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole is COc1ccc(C(C)c2ccc3cc(-c4ccc(C)cc4)[nH]c3c2)cc1.Cc1ccc(-c2cc3ccc(C(C)c4ccc(-c5ccccc5)cc4)cc3[nH]2)cc1.Cc1ccc(-c2cc3ccc(C(C)c4ccc(C=O)cc4)cc3[nH]2)cc1.Cc1ccc(-c2cc3ccc(C(C)c4ccc5ccc6cccc7ccc4c5c67)cc3[nH]2)cc1.Cc1ccc(-c2cc3ccc(C(C)c4ccncc4)cc3[nH]2)cc1.Cc1ccc(-c2cc3ccc(C(C)c4ccsc4)cc3[nH]2)cc1.
What is the InChIKey of 6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole?
The InChIKey is GJQYSTPASGGMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N.C29H25N.C24H21NO.C24H23NO.C22H20N2.C21H19NS/c1-20-6-8-22(9-7-20)30-19-27-13-12-26(18-31(27)34-30)21(2)28-16-14-25-11-10-23-4-3-5-24-15-17-29(28)33(25)32(23)24;1-20-8-10-25(11-9-20)28-19-27-17-16-26(18-29(27)30-28)21(2)22-12-14-24(15-13-22)23-6-4-3-5-7-23;1-16-3-7-20(8-4-16)23-14-22-12-11-21(13-24(22)25-23)17(2)19-9-5-18(15-26)6-10-19;1-16-4-6-19(7-5-16)23-15-21-9-8-20(14-24(21)25-23)17(2)18-10-12-22(26-3)13-11-18;1-15-3-5-18(6-4-15)21-14-20-8-7-19(13-22(20)24-21)16(2)17-9-11-23-12-10-17;1-14-3-5-16(6-4-14)20-12-18-8-7-17(11-21(18)22-20)15(2)19-9-10-23-13-19/h3-19,21,34H,1-2H3;3-19,21,30H,1-2H3;3-15,17,25H,1-2H3;4-15,17,25H,1-3H3;3-14,16,24H,1-2H3;3-13,15,22H,1-2H3.
What are the key properties of 6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole?
6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole has a molecular weight of 2133.86 g/mol, XLogP of 41.61, 21 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;4-[1-[2-(4-methylphenyl)-1H-indol-6-yl]ethyl]benzaldehyde;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-thiophen-3-ylethyl)-1H-indole is sourced from PubChem (CID 158276464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).