1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone

C99H96N8O7 — CID 158282487

IUPAC1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc3cnn(-c4ccc(OC(C)C)cc4)c3c2)cc1.CC(C)Oc1ccc(-c2ccc3ccn(-c4ccc(OC(C)C)cc4)c3c2)cc1.CC(C)Oc1ccc(-c2ccc3nnc(-c4ccc(OC(C)C)cc4)n3c2)cc1.CC(C)Oc1ccc(-n2ccc3ccc(-c4ccc5[nH]ccc5c4)cc32)cc1
InChIInChI=1S/C26H27NO2.C25H22N2O.C24H25N3O2.C24H22N2O2/c1-18(2)28-24-11-7-20(8-12-24)22-6-5-21-15-16-27(26(21)17-22)23-9-13-25(14-10-23)29-19(3)4;1-17(2)28-23-8-6-22(7-9-23)27-14-12-18-3-4-20(16-25(18)27)19-5-10-24-21(15-19)11-13-26-24;1-16(2)28-21-10-5-18(6-11-21)20-9-14-23-25-26-24(27(23)15-20)19-7-12-22(13-8-19)29-17(3)4;1-16(2)28-23-12-10-22(11-13-23)26-24-14-20(8-9-21(24)15-25-26)19-6-4-18(5-7-19)17(3)27/h5-19H,1-4H3;3-17,26H,1-2H3;5-17H,1-4H3;4-16H,1-3H3
InChIKeyGKJLNKWJGHFWGY-UHFFFAOYSA-N
MW1509.91 g/mol
LogP24.76
Rot. Bonds21

About 1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone

1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone (PubChem CID 158282487) has the molecular formula C99H96N8O7 and a molecular weight of 1509.91 g/mol. Its IUPAC name is 1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone.

Molecular Properties

Compound Name1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone
PubChem CID158282487
Molecular FormulaC99H96N8O7
Molecular Weight1509.91 g/mol
Exact Mass1508.74
IUPAC Name1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc3cnn(-c4ccc(OC(C)C)cc4)c3c2)cc1.CC(C)Oc1ccc(-c2ccc3ccn(-c4ccc(OC(C)C)cc4)c3c2)cc1.CC(C)Oc1ccc(-c2ccc3nnc(-c4ccc(OC(C)C)cc4)n3c2)cc1.CC(C)Oc1ccc(-n2ccc3ccc(-c4ccc5[nH]ccc5c4)cc32)cc1
InChIInChI=1S/C26H27NO2.C25H22N2O.C24H25N3O2.C24H22N2O2/c1-18(2)28-24-11-7-20(8-12-24)22-6-5-21-15-16-27(26(21)17-22)23-9-13-25(14-10-23)29-19(3)4;1-17(2)28-23-8-6-22(7-9-23)27-14-12-18-3-4-20(16-25(18)27)19-5-10-24-21(15-19)11-13-26-24;1-16(2)28-21-10-5-18(6-11-21)20-9-14-23-25-26-24(27(23)15-20)19-7-12-22(13-8-19)29-17(3)4;1-16(2)28-23-12-10-22(11-13-23)26-24-14-20(8-9-21(24)15-25-26)19-6-4-18(5-7-19)17(3)27/h5-19H,1-4H3;3-17,26H,1-2H3;5-17H,1-4H3;4-16H,1-3H3
InChIKeyGKJLNKWJGHFWGY-UHFFFAOYSA-N
XLogP24.76
TPSA146.11 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001509.91
LogP ≤ 524.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone with MolForge

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Related Compounds

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-6-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazolo[1,5-a]pyridin-3-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(1-methylpyrazol-4-yl)phenyl]-5-[(3-oxo-5-phenylmethoxy-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 158805521
8-tert-butyl-2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;4-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-tert-butyl-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;8-tert-butyl-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 163411644
2-[3-[2-[4-[[5-[5-[2-(ethylamino)-6-[5-(1-methylazetidin-3-yl)oxy-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]-4-pyridinyl]-1-methylpyrazol-4-yl]-4-methyl-1,2,4-triazol-4-ium-1-yl]methyl]-1,2,4-triazol-3-yl]phenyl]phenyl]-6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165410761
8-[2-(1,5-Dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57958306
8-[3-[3,6-Bis[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 57958359
6-(8-carbazol-9-yldibenzofuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 59359270
8-[3-[3-[2-(4-phenyl-4H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 118069037
8-[3-[9-Phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]-5-[3-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 118634017
8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 123470350
8-[3-[9-Phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]-5-[3-[2-(4-phenyltetrazol-2-ium-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 123838240
N-[3-[4-[4-[2-ethoxy-3-[4-[4-[2-methoxy-5-(2-methylpyrazol-3-yl)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]-1H-pyrazol-3-yl]-5-phenylanilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]-1H-pyrazol-3-yl]-5-(furan-3-yl)-2-methoxyphenyl]-3-(2-methylpyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 132049788
7-Methyl-22-[15-(1-methylindazol-5-yl)-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-9-yl]-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 138458375

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone?
The IUPAC name of 1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone (CID 158282487) is 1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone.
What is the SMILES notation for 1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone?
The canonical SMILES for 1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone is CC(=O)c1ccc(-c2ccc3cnn(-c4ccc(OC(C)C)cc4)c3c2)cc1.CC(C)Oc1ccc(-c2ccc3ccn(-c4ccc(OC(C)C)cc4)c3c2)cc1.CC(C)Oc1ccc(-c2ccc3nnc(-c4ccc(OC(C)C)cc4)n3c2)cc1.CC(C)Oc1ccc(-n2ccc3ccc(-c4ccc5[nH]ccc5c4)cc32)cc1.
What is the InChIKey of 1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone?
The InChIKey is GKJLNKWJGHFWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2.C25H22N2O.C24H25N3O2.C24H22N2O2/c1-18(2)28-24-11-7-20(8-12-24)22-6-5-21-15-16-27(26(21)17-22)23-9-13-25(14-10-23)29-19(3)4;1-17(2)28-23-8-6-22(7-9-23)27-14-12-18-3-4-20(16-25(18)27)19-5-10-24-21(15-19)11-13-26-24;1-16(2)28-21-10-5-18(6-11-21)20-9-14-23-25-26-24(27(23)15-20)19-7-12-22(13-8-19)29-17(3)4;1-16(2)28-23-12-10-22(11-13-23)26-24-14-20(8-9-21(24)15-25-26)19-6-4-18(5-7-19)17(3)27/h5-19H,1-4H3;3-17,26H,1-2H3;5-17H,1-4H3;4-16H,1-3H3.
What are the key properties of 1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone?
1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone has a molecular weight of 1509.91 g/mol, XLogP of 24.76, 21 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-propan-2-yloxyphenyl)indole;3,6-bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indole;1-[4-[1-(4-propan-2-yloxyphenyl)indazol-6-yl]phenyl]ethanone is sourced from PubChem (CID 158282487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).