2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol

C92H87F3N4O4 — CID 161126747

IUPAC2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol
SMILESCCCC1=CC(Cc2ccccc2)c2ccc(OCc3ccc4ccccc4c3)cc21.CCCc1c[nH]c2ccc(O)cc12.CCCc1c[nH]c2ccc(OCc3ccc4ccccc4c3)cc12.NCCc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccc(OCc3ccc4ccccc4c3)cc12
InChIInChI=1S/C30H28O.C29H25F3N2O.C22H21NO.C11H13NO/c1-2-8-26-19-27(17-22-9-4-3-5-10-22)29-16-15-28(20-30(26)29)31-21-23-13-14-24-11-6-7-12-25(24)18-23;30-29(31,32)25-9-6-20(7-10-25)17-34-18-24(13-14-33)27-16-26(11-12-28(27)34)35-19-21-5-8-22-3-1-2-4-23(22)15-21;1-2-5-19-14-23-22-11-10-20(13-21(19)22)24-15-16-8-9-17-6-3-4-7-18(17)12-16;1-2-3-8-7-12-11-5-4-9(13)6-10(8)11/h3-7,9-16,18-20,27H,2,8,17,21H2,1H3;1-12,15-16,18H,13-14,17,19,33H2;3-4,6-14,23H,2,5,15H2,1H3;4-7,12-13H,2-3H2,1H3
InChIKeyULQUNZUJAKGYMF-UHFFFAOYSA-N
MW1369.73 g/mol
LogP23.56
Rot. Bonds21

About 2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol

2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol (PubChem CID 161126747) has the molecular formula C92H87F3N4O4 and a molecular weight of 1369.73 g/mol. Its IUPAC name is 2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol.

Molecular Properties

Compound Name2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol
PubChem CID161126747
Molecular FormulaC92H87F3N4O4
Molecular Weight1369.73 g/mol
Exact Mass1368.67
IUPAC Name2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol
SMILESCCCC1=CC(Cc2ccccc2)c2ccc(OCc3ccc4ccccc4c3)cc21.CCCc1c[nH]c2ccc(O)cc12.CCCc1c[nH]c2ccc(OCc3ccc4ccccc4c3)cc12.NCCc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccc(OCc3ccc4ccccc4c3)cc12
InChIInChI=1S/C30H28O.C29H25F3N2O.C22H21NO.C11H13NO/c1-2-8-26-19-27(17-22-9-4-3-5-10-22)29-16-15-28(20-30(26)29)31-21-23-13-14-24-11-6-7-12-25(24)18-23;30-29(31,32)25-9-6-20(7-10-25)17-34-18-24(13-14-33)27-16-26(11-12-28(27)34)35-19-21-5-8-22-3-1-2-4-23(22)15-21;1-2-5-19-14-23-22-11-10-20(13-21(19)22)24-15-16-8-9-17-6-3-4-7-18(17)12-16;1-2-3-8-7-12-11-5-4-9(13)6-10(8)11/h3-7,9-16,18-20,27H,2,8,17,21H2,1H3;1-12,15-16,18H,13-14,17,19,33H2;3-4,6-14,23H,2,5,15H2,1H3;4-7,12-13H,2-3H2,1H3
InChIKeyULQUNZUJAKGYMF-UHFFFAOYSA-N
XLogP23.56
TPSA110.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001369.73
LogP ≤ 523.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol with MolForge

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Related Compounds

2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methyl)phenyl)methoxy)-1H-indol-3-yl)ethanamine
CID 11797998
US9714221, Example 12
CID 130232954
2-(5-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxymethyl]-benzyloxy}-1H-indol-3-yl)-ethylamine
CID 11797999
4-[2-[3-(2-Aminoethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]indol-5-yl]oxyethyl]phenol;hydrochloride
CID 46845703
3-[[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]phenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 56964795
3-[[10-[bis(5-hydroxy-1H-indol-3-yl)methyl]anthracen-9-yl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 155564501
3-[[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]-2,3,5,6-tetrafluorophenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 155566362
US9714221, Example 3
CID 130232341
US9714221, Example 19
CID 130233388
US11149031, Example 5
CID 134521065
4-[2-[3-(2-Aminoethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]indol-5-yl]oxyethyl]phenol;hydrochloride
CID 46845701
4-[2-[3-(2-Aminoethyl)-1-[(4-phenylphenyl)methyl]indol-5-yl]oxyethyl]phenol;hydrochloride
CID 46888662

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol?
The IUPAC name of 2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol (CID 161126747) is 2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol.
What is the SMILES notation for 2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol?
The canonical SMILES for 2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol is CCCC1=CC(Cc2ccccc2)c2ccc(OCc3ccc4ccccc4c3)cc21.CCCc1c[nH]c2ccc(O)cc12.CCCc1c[nH]c2ccc(OCc3ccc4ccccc4c3)cc12.NCCc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccc(OCc3ccc4ccccc4c3)cc12.
What is the InChIKey of 2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol?
The InChIKey is ULQUNZUJAKGYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O.C29H25F3N2O.C22H21NO.C11H13NO/c1-2-8-26-19-27(17-22-9-4-3-5-10-22)29-16-15-28(20-30(26)29)31-21-23-13-14-24-11-6-7-12-25(24)18-23;30-29(31,32)25-9-6-20(7-10-25)17-34-18-24(13-14-33)27-16-26(11-12-28(27)34)35-19-21-5-8-22-3-1-2-4-23(22)15-21;1-2-5-19-14-23-22-11-10-20(13-21(19)22)24-15-16-8-9-17-6-3-4-7-18(17)12-16;1-2-3-8-7-12-11-5-4-9(13)6-10(8)11/h3-7,9-16,18-20,27H,2,8,17,21H2,1H3;1-12,15-16,18H,13-14,17,19,33H2;3-4,6-14,23H,2,5,15H2,1H3;4-7,12-13H,2-3H2,1H3.
What are the key properties of 2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol?
2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol has a molecular weight of 1369.73 g/mol, XLogP of 23.56, 21 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-3-propyl-1H-inden-5-yl)oxymethyl]naphthalene;5-(naphthalen-2-ylmethoxy)-3-propyl-1H-indole;2-[5-(naphthalen-2-ylmethoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethanamine;3-propyl-1H-indol-5-ol is sourced from PubChem (CID 161126747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).