2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole

C35H38Cl2N2 — CID 146415566

IUPAC2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole
SMILESCC1/C(=C\C=C2/CCC3CCC(/C=C/C4N(C)c5ccccc5C4(C)C)=C(Cl)C3=C2Cl)N(C)c2ccccc21
InChIInChI=1S/C35H38Cl2N2/c1-22-26-10-6-8-12-29(26)38(4)28(22)20-18-24-16-14-23-15-17-25(34(37)32(23)33(24)36)19-21-31-35(2,3)27-11-7-9-13-30(27)39(31)5/h6-13,18-23,31H,14-17H2,1-5H3/b21-19+,24-18+,28-20+
InChIKeyFQMZCIUEGALWTA-PESRYOGPSA-N
MW557.61 g/mol
LogP9.59
Rot. Bonds3

About 2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole

2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole (PubChem CID 146415566) has the molecular formula C35H38Cl2N2 and a molecular weight of 557.61 g/mol. Its IUPAC name is 2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole.

Molecular Properties

Compound Name2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole
PubChem CID146415566
Molecular FormulaC35H38Cl2N2
Molecular Weight557.61 g/mol
Exact Mass556.24
IUPAC Name2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole
SMILESCC1/C(=C\C=C2/CCC3CCC(/C=C/C4N(C)c5ccccc5C4(C)C)=C(Cl)C3=C2Cl)N(C)c2ccccc21
InChIInChI=1S/C35H38Cl2N2/c1-22-26-10-6-8-12-29(26)38(4)28(22)20-18-24-16-14-23-15-17-25(34(37)32(23)33(24)36)19-21-31-35(2,3)27-11-7-9-13-30(27)39(31)5/h6-13,18-23,31H,14-17H2,1-5H3/b21-19+,24-18+,28-20+
InChIKeyFQMZCIUEGALWTA-PESRYOGPSA-N
XLogP9.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.61
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole?
The IUPAC name of 2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole (CID 146415566) is 2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole.
What is the SMILES notation for 2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole?
The canonical SMILES for 2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole is CC1/C(=C\C=C2/CCC3CCC(/C=C/C4N(C)c5ccccc5C4(C)C)=C(Cl)C3=C2Cl)N(C)c2ccccc21.
What is the InChIKey of 2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole?
The InChIKey is FQMZCIUEGALWTA-PESRYOGPSA-N. The full InChI is InChI=1S/C35H38Cl2N2/c1-22-26-10-6-8-12-29(26)38(4)28(22)20-18-24-16-14-23-15-17-25(34(37)32(23)33(24)36)19-21-31-35(2,3)27-11-7-9-13-30(27)39(31)5/h6-13,18-23,31H,14-17H2,1-5H3/b21-19+,24-18+,28-20+.
What are the key properties of 2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole?
2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole has a molecular weight of 557.61 g/mol, XLogP of 9.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[(7E)-1,8-dichloro-7-[(2E)-2-(1,3-dimethyl-3H-indol-2-ylidene)ethylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]ethenyl]-1,3,3-trimethyl-2H-indole is sourced from PubChem (CID 146415566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).