3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole

C108H96N6O6 — CID 159725195

IUPAC3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole
SMILESCCCc1c[nH]c2ccc(-c3ccc4ccccc4c3)cc12.CCCc1cn(Cc2cccc(C(=O)OC)c2)c2ccc(-c3ccc4ccccc4c3)cc12.COC(=O)c1cccc(Cn2cc(CCN)c3cc(-c4ccc5ccccc5c4)ccc32)c1.NCCc1cn(Cc2cccc(C(=O)O)c2)c2ccc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C30H27NO2.C29H26N2O2.C28H24N2O2.C21H19N/c1-3-7-27-20-31(19-21-8-6-11-26(16-21)30(32)33-2)29-15-14-25(18-28(27)29)24-13-12-22-9-4-5-10-23(22)17-24;1-33-29(32)25-8-4-5-20(15-25)18-31-19-26(13-14-30)27-17-24(11-12-28(27)31)23-10-9-21-6-2-3-7-22(21)16-23;29-13-12-25-18-30(17-19-4-3-7-24(14-19)28(31)32)27-11-10-23(16-26(25)27)22-9-8-20-5-1-2-6-21(20)15-22;1-2-5-19-14-22-21-11-10-18(13-20(19)21)17-9-8-15-6-3-4-7-16(15)12-17/h4-6,8-18,20H,3,7,19H2,1-2H3;2-12,15-17,19H,13-14,18,30H2,1H3;1-11,14-16,18H,12-13,17,29H2,(H,31,32);3-4,6-14,22H,2,5H2,1H3
InChIKeyNANSYPGYSGMDIK-UHFFFAOYSA-N
MW1573.99 g/mol
LogP24.70
Rot. Bonds21

About 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole

3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole (PubChem CID 159725195) has the molecular formula C108H96N6O6 and a molecular weight of 1573.99 g/mol. Its IUPAC name is 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole.

Molecular Properties

Compound Name3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole
PubChem CID159725195
Molecular FormulaC108H96N6O6
Molecular Weight1573.99 g/mol
Exact Mass1572.74
IUPAC Name3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole
SMILESCCCc1c[nH]c2ccc(-c3ccc4ccccc4c3)cc12.CCCc1cn(Cc2cccc(C(=O)OC)c2)c2ccc(-c3ccc4ccccc4c3)cc12.COC(=O)c1cccc(Cn2cc(CCN)c3cc(-c4ccc5ccccc5c4)ccc32)c1.NCCc1cn(Cc2cccc(C(=O)O)c2)c2ccc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C30H27NO2.C29H26N2O2.C28H24N2O2.C21H19N/c1-3-7-27-20-31(19-21-8-6-11-26(16-21)30(32)33-2)29-15-14-25(18-28(27)29)24-13-12-22-9-4-5-10-23(22)17-24;1-33-29(32)25-8-4-5-20(15-25)18-31-19-26(13-14-30)27-17-24(11-12-28(27)31)23-10-9-21-6-2-3-7-22(21)16-23;29-13-12-25-18-30(17-19-4-3-7-24(14-19)28(31)32)27-11-10-23(16-26(25)27)22-9-8-20-5-1-2-6-21(20)15-22;1-2-5-19-14-22-21-11-10-18(13-20(19)21)17-9-8-15-6-3-4-7-16(15)12-17/h4-6,8-18,20H,3,7,19H2,1-2H3;2-12,15-17,19H,13-14,18,30H2,1H3;1-11,14-16,18H,12-13,17,29H2,(H,31,32);3-4,6-14,22H,2,5H2,1H3
InChIKeyNANSYPGYSGMDIK-UHFFFAOYSA-N
XLogP24.70
TPSA172.52 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001573.99
LogP ≤ 524.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole with MolForge

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Related Compounds

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3-((6-(1-((3-Methoxycarbonylphenyl)methyl)indol-6-yl)indol-1-yl)methyl)benzoic acid
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CID 90682145
3-[[6-[3-[(3-methoxyphenyl)methyl]-1H-indol-6-yl]indol-1-yl]methyl]benzoic acid
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3-[[6-[1-[[3-[(2-Methylpropan-2-yl)oxycarbonyl]phenyl]methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
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3-[[6-[1-[[3-[(2-Methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole?
The IUPAC name of 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole (CID 159725195) is 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole.
What is the SMILES notation for 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole?
The canonical SMILES for 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole is CCCc1c[nH]c2ccc(-c3ccc4ccccc4c3)cc12.CCCc1cn(Cc2cccc(C(=O)OC)c2)c2ccc(-c3ccc4ccccc4c3)cc12.COC(=O)c1cccc(Cn2cc(CCN)c3cc(-c4ccc5ccccc5c4)ccc32)c1.NCCc1cn(Cc2cccc(C(=O)O)c2)c2ccc(-c3ccc4ccccc4c3)cc12.
What is the InChIKey of 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole?
The InChIKey is NANSYPGYSGMDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO2.C29H26N2O2.C28H24N2O2.C21H19N/c1-3-7-27-20-31(19-21-8-6-11-26(16-21)30(32)33-2)29-15-14-25(18-28(27)29)24-13-12-22-9-4-5-10-23(22)17-24;1-33-29(32)25-8-4-5-20(15-25)18-31-19-26(13-14-30)27-17-24(11-12-28(27)31)23-10-9-21-6-2-3-7-22(21)16-23;29-13-12-25-18-30(17-19-4-3-7-24(14-19)28(31)32)27-11-10-23(16-26(25)27)22-9-8-20-5-1-2-6-21(20)15-22;1-2-5-19-14-22-21-11-10-18(13-20(19)21)17-9-8-15-6-3-4-7-16(15)12-17/h4-6,8-18,20H,3,7,19H2,1-2H3;2-12,15-17,19H,13-14,18,30H2,1H3;1-11,14-16,18H,12-13,17,29H2,(H,31,32);3-4,6-14,22H,2,5H2,1H3.
What are the key properties of 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole?
3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole has a molecular weight of 1573.99 g/mol, XLogP of 24.70, 21 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoic acid;methyl 3-[[3-(2-aminoethyl)-5-naphthalen-2-ylindol-1-yl]methyl]benzoate;methyl 3-[(5-naphthalen-2-yl-3-propylindol-1-yl)methyl]benzoate;5-naphthalen-2-yl-3-propyl-1H-indole is sourced from PubChem (CID 159725195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).