2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate

C28H32N2O2-2 — CID 15508580

IUPAC2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate
SMILESCN1/C(=C\C2C([O-])C(/C=C3\N(C)c4ccccc4C3(C)C)C2[O-])C(C)(C)c2ccccc21
InChIInChI=1S/C28H32N2O2/c1-27(2)19-11-7-9-13-21(19)29(5)23(27)15-17-25(31)18(26(17)32)16-24-28(3,4)20-12-8-10-14-22(20)30(24)6/h7-18,25-26H,1-6H3/q-2/b23-15-,24-16-
InChIKeyQXCZYFDQGHYIEU-MPKYGIEOSA-N
MW428.58 g/mol
LogP3.31
Rot. Bonds2

About 2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate

2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate (PubChem CID 15508580) has the molecular formula C28H32N2O2-2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate.

Molecular Properties

Compound Name2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate
PubChem CID15508580
Molecular FormulaC28H32N2O2-2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate
SMILESCN1/C(=C\C2C([O-])C(/C=C3\N(C)c4ccccc4C3(C)C)C2[O-])C(C)(C)c2ccccc21
InChIInChI=1S/C28H32N2O2/c1-27(2)19-11-7-9-13-21(19)29(5)23(27)15-17-25(31)18(26(17)32)16-24-28(3,4)20-12-8-10-14-22(20)30(24)6/h7-18,25-26H,1-6H3/q-2/b23-15-,24-16-
InChIKeyQXCZYFDQGHYIEU-MPKYGIEOSA-N
XLogP3.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
2-[3-oxo-2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutylidene]propanedinitrile
CID 139242461
9,9,10-trimethylacridine
CID 610451
1,3,3-trimethyl-2-(nitrosomethylidene)indole
CID 4625557
2-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol
CID 59806347
dimethyl-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 18526952
2-[5-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]thiophen-2-yl]-3-hydroxy-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutan-1-olate
CID 146883976
4-oxo-5-[(1,3,3-trimethylindol-2-ylidene)methyl]-2-[(1,3,3-trimethyl-2H-indol-2-yl)methyl]cyclopentane-1,3-diolate
CID 59871128
dimethyl-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium perchlorate
CID 73448945
2-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol
CID 59061578
2-(2-hydroxycarbazol-9-yl)-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diol
CID 59061553
dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium
CID 2770749

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate?
The IUPAC name of 2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate (CID 15508580) is 2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate.
What is the SMILES notation for 2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate?
The canonical SMILES for 2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate is CN1/C(=C\C2C([O-])C(/C=C3\N(C)c4ccccc4C3(C)C)C2[O-])C(C)(C)c2ccccc21.
What is the InChIKey of 2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate?
The InChIKey is QXCZYFDQGHYIEU-MPKYGIEOSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-27(2)19-11-7-9-13-21(19)29(5)23(27)15-17-25(31)18(26(17)32)16-24-28(3,4)20-12-8-10-14-22(20)30(24)6/h7-18,25-26H,1-6H3/q-2/b23-15-,24-16-.
What are the key properties of 2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate?
2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate has a molecular weight of 428.58 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutane-1,3-diolate is sourced from PubChem (CID 15508580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).