1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole

C92H110N6O4 — CID 159462625

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole
SMILESCCCc1cn(CCCn2cc(CCC)c3cc(OC)ccc32)c2ccc(C)cc12.CCCc1cn(CCCn2cc(CCC)c3ccccc32)c2ccccc12.CCCc1cn(CCOc2ccc(OC)cc2)c2ccccc12.CCCc1cn(CCOc2cccc(C)c2)c2ccccc12
InChIInChI=1S/C27H34N2O.C25H30N2.C20H23NO2.C20H23NO/c1-5-8-21-18-28(26-12-10-20(3)16-24(21)26)14-7-15-29-19-22(9-6-2)25-17-23(30-4)11-13-27(25)29;1-3-10-20-18-26(24-14-7-5-12-22(20)24)16-9-17-27-19-21(11-4-2)23-13-6-8-15-25(23)27;1-3-6-16-15-21(20-8-5-4-7-19(16)20)13-14-23-18-11-9-17(22-2)10-12-18;1-3-7-17-15-21(20-11-5-4-10-19(17)20)12-13-22-18-9-6-8-16(2)14-18/h10-13,16-19H,5-9,14-15H2,1-4H3;5-8,12-15,18-19H,3-4,9-11,16-17H2,1-2H3;4-5,7-12,15H,3,6,13-14H2,1-2H3;4-6,8-11,14-15H,3,7,12-13H2,1-2H3
InChIKeyLUTYVVSQRPLWNN-UHFFFAOYSA-N
MW1363.93 g/mol
LogP23.16
Rot. Bonds30

About 1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole

1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole (PubChem CID 159462625) has the molecular formula C92H110N6O4 and a molecular weight of 1363.93 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole
PubChem CID159462625
Molecular FormulaC92H110N6O4
Molecular Weight1363.93 g/mol
Exact Mass1362.86
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole
SMILESCCCc1cn(CCCn2cc(CCC)c3cc(OC)ccc32)c2ccc(C)cc12.CCCc1cn(CCCn2cc(CCC)c3ccccc32)c2ccccc12.CCCc1cn(CCOc2ccc(OC)cc2)c2ccccc12.CCCc1cn(CCOc2cccc(C)c2)c2ccccc12
InChIInChI=1S/C27H34N2O.C25H30N2.C20H23NO2.C20H23NO/c1-5-8-21-18-28(26-12-10-20(3)16-24(21)26)14-7-15-29-19-22(9-6-2)25-17-23(30-4)11-13-27(25)29;1-3-10-20-18-26(24-14-7-5-12-22(20)24)16-9-17-27-19-21(11-4-2)23-13-6-8-15-25(23)27;1-3-6-16-15-21(20-8-5-4-7-19(16)20)13-14-23-18-11-9-17(22-2)10-12-18;1-3-7-17-15-21(20-11-5-4-10-19(17)20)12-13-22-18-9-6-8-16(2)14-18/h10-13,16-19H,5-9,14-15H2,1-4H3;5-8,12-15,18-19H,3-4,9-11,16-17H2,1-2H3;4-5,7-12,15H,3,6,13-14H2,1-2H3;4-6,8-11,14-15H,3,7,12-13H2,1-2H3
InChIKeyLUTYVVSQRPLWNN-UHFFFAOYSA-N
XLogP23.16
TPSA66.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001363.93
LogP ≤ 523.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole with MolForge

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Related Compounds

3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 57326788
3-[[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035273
3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035571
3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole
CID 127035684
2-[4-[(Z)-2-[3-[[5-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]-(4-fluorophenyl)methyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172447136
2-[4-[(E)-2-[3-[[5-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]-(4-fluorophenyl)methyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172449508
2-[4-[(Z)-2-[3-[[5-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]-(4-iodophenyl)methyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172441840
2-[4-[(E)-2-[3-[[5-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]-phenylmethyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172446692
2-[4-[(Z)-2-[3-[[5-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]-phenylmethyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172451552
2-[4-[(E)-2-[3-[[5-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]-(4-nitrophenyl)methyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172455252
2-[4-[(E)-2-[3-[[5-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]-(4-iodophenyl)methyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172463724
2-[4-[(Z)-2-[3-[[5-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]-(4-nitrophenyl)methyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172468111

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole (CID 159462625) is 1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole is CCCc1cn(CCCn2cc(CCC)c3cc(OC)ccc32)c2ccc(C)cc12.CCCc1cn(CCCn2cc(CCC)c3ccccc32)c2ccccc12.CCCc1cn(CCOc2ccc(OC)cc2)c2ccccc12.CCCc1cn(CCOc2cccc(C)c2)c2ccccc12.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole?
The InChIKey is LUTYVVSQRPLWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O.C25H30N2.C20H23NO2.C20H23NO/c1-5-8-21-18-28(26-12-10-20(3)16-24(21)26)14-7-15-29-19-22(9-6-2)25-17-23(30-4)11-13-27(25)29;1-3-10-20-18-26(24-14-7-5-12-22(20)24)16-9-17-27-19-21(11-4-2)23-13-6-8-15-25(23)27;1-3-6-16-15-21(20-8-5-4-7-19(16)20)13-14-23-18-11-9-17(22-2)10-12-18;1-3-7-17-15-21(20-11-5-4-10-19(17)20)12-13-22-18-9-6-8-16(2)14-18/h10-13,16-19H,5-9,14-15H2,1-4H3;5-8,12-15,18-19H,3-4,9-11,16-17H2,1-2H3;4-5,7-12,15H,3,6,13-14H2,1-2H3;4-6,8-11,14-15H,3,7,12-13H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole?
1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole has a molecular weight of 1363.93 g/mol, XLogP of 23.16, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-3-propylindole;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;1-[2-(3-methylphenoxy)ethyl]-3-propylindole;3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole is sourced from PubChem (CID 159462625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).