(2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene

C71H76N2O — CID 91501311

IUPAC(2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene
SMILESC/C=C1/N(C)c2ccc(OC)cc2C1(C)C.CC1=C(/C=C/C=C2/N(C)c3ccccc3C2(C)C)C(C)(Cc2ccccc2)c2ccc3ccccc3c21.CCc1c(C(C)Cc2ccccc2)ccc2ccccc12
InChIInChI=1S/C36H35N.C21H22.C14H19NO/c1-25-29(19-13-21-33-35(2,3)30-18-11-12-20-32(30)37(33)5)36(4,24-26-14-7-6-8-15-26)31-23-22-27-16-9-10-17-28(27)34(25)31;1-3-19-20(14-13-18-11-7-8-12-21(18)19)16(2)15-17-9-5-4-6-10-17;1-6-13-14(2,3)11-9-10(16-5)7-8-12(11)15(13)4/h6-23H,24H2,1-5H3;4-14,16H,3,15H2,1-2H3;6-9H,1-5H3/b19-13+,33-21+;;13-6+
InChIKeyQVXZUISSFJSMKA-IUKMRFMSSA-N
MW973.40 g/mol
LogP18.07
Rot. Bonds9

About (2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene

(2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene (PubChem CID 91501311) has the molecular formula C71H76N2O and a molecular weight of 973.40 g/mol. Its IUPAC name is (2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene.

Molecular Properties

Compound Name(2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene
PubChem CID91501311
Molecular FormulaC71H76N2O
Molecular Weight973.40 g/mol
Exact Mass972.60
IUPAC Name(2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene
SMILESC/C=C1/N(C)c2ccc(OC)cc2C1(C)C.CC1=C(/C=C/C=C2/N(C)c3ccccc3C2(C)C)C(C)(Cc2ccccc2)c2ccc3ccccc3c21.CCc1c(C(C)Cc2ccccc2)ccc2ccccc12
InChIInChI=1S/C36H35N.C21H22.C14H19NO/c1-25-29(19-13-21-33-35(2,3)30-18-11-12-20-32(30)37(33)5)36(4,24-26-14-7-6-8-15-26)31-23-22-27-16-9-10-17-28(27)34(25)31;1-3-19-20(14-13-18-11-7-8-12-21(18)19)16(2)15-17-9-5-4-6-10-17;1-6-13-14(2,3)11-9-10(16-5)7-8-12(11)15(13)4/h6-23H,24H2,1-5H3;4-14,16H,3,15H2,1-2H3;6-9H,1-5H3/b19-13+,33-21+;;13-6+
InChIKeyQVXZUISSFJSMKA-IUKMRFMSSA-N
XLogP18.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.40
LogP ≤ 518.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene?
The IUPAC name of (2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene (CID 91501311) is (2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene.
What is the SMILES notation for (2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene?
The canonical SMILES for (2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene is C/C=C1/N(C)c2ccc(OC)cc2C1(C)C.CC1=C(/C=C/C=C2/N(C)c3ccccc3C2(C)C)C(C)(Cc2ccccc2)c2ccc3ccccc3c21.CCc1c(C(C)Cc2ccccc2)ccc2ccccc12.
What is the InChIKey of (2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene?
The InChIKey is QVXZUISSFJSMKA-IUKMRFMSSA-N. The full InChI is InChI=1S/C36H35N.C21H22.C14H19NO/c1-25-29(19-13-21-33-35(2,3)30-18-11-12-20-32(30)37(33)5)36(4,24-26-14-7-6-8-15-26)31-23-22-27-16-9-10-17-28(27)34(25)31;1-3-19-20(14-13-18-11-7-8-12-21(18)19)16(2)15-17-9-5-4-6-10-17;1-6-13-14(2,3)11-9-10(16-5)7-8-12(11)15(13)4/h6-23H,24H2,1-5H3;4-14,16H,3,15H2,1-2H3;6-9H,1-5H3/b19-13+,33-21+;;13-6+.
What are the key properties of (2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene?
(2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene has a molecular weight of 973.40 g/mol, XLogP of 18.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-3-(3-benzyl-1,3-dimethylcyclopenta[a]naphthalen-2-yl)prop-2-enylidene]-1,3,3-trimethylindole;(2E)-2-ethylidene-5-methoxy-1,3,3-trimethylindole;1-ethyl-2-(1-phenylpropan-2-yl)naphthalene is sourced from PubChem (CID 91501311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).