dimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium

C33H40N3+ — CID 177407380

IUPACdimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium
SMILESCN1C(=C=CC2CC/C(=C/C=C3/N(C)c4ccccc4C3(C)C)C2=[N+](C)C)C(C)(C)c2ccccc21
InChIInChI=1S/C33H40N3/c1-32(2)25-13-9-11-15-27(25)35(7)29(32)21-19-23-17-18-24(31(23)34(5)6)20-22-30-33(3,4)26-14-10-12-16-28(26)36(30)8/h9-16,19-21,24H,17-18H2,1-8H3/q+1
InChIKeyVIIZTOXKPVEPJK-UHFFFAOYSA-N
MW478.70 g/mol
LogP6.81
Rot. Bonds2

About dimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium

dimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium (PubChem CID 177407380) has the molecular formula C33H40N3+ and a molecular weight of 478.70 g/mol. Its IUPAC name is dimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium.

Molecular Properties

Compound Namedimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium
PubChem CID177407380
Molecular FormulaC33H40N3+
Molecular Weight478.70 g/mol
Exact Mass478.32
IUPAC Namedimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium
SMILESCN1C(=C=CC2CC/C(=C/C=C3/N(C)c4ccccc4C3(C)C)C2=[N+](C)C)C(C)(C)c2ccccc21
InChIInChI=1S/C33H40N3/c1-32(2)25-13-9-11-15-27(25)35(7)29(32)21-19-23-17-18-24(31(23)34(5)6)20-22-30-33(3,4)26-14-10-12-16-28(26)36(30)8/h9-16,19-21,24H,17-18H2,1-8H3/q+1
InChIKeyVIIZTOXKPVEPJK-UHFFFAOYSA-N
XLogP6.81
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.70
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium?
The IUPAC name of dimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium (CID 177407380) is dimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium.
What is the SMILES notation for dimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium?
The canonical SMILES for dimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium is CN1C(=C=CC2CC/C(=C/C=C3/N(C)c4ccccc4C3(C)C)C2=[N+](C)C)C(C)(C)c2ccccc21.
What is the InChIKey of dimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium?
The InChIKey is VIIZTOXKPVEPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N3/c1-32(2)25-13-9-11-15-27(25)35(7)29(32)21-19-23-17-18-24(31(23)34(5)6)20-22-30-33(3,4)26-14-10-12-16-28(26)36(30)8/h9-16,19-21,24H,17-18H2,1-8H3/q+1.
What are the key properties of dimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium?
dimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium has a molecular weight of 478.70 g/mol, XLogP of 6.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(5Z)-2-[2-(1,3,3-trimethylindol-2-ylidene)ethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium is sourced from PubChem (CID 177407380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).