9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium)

C25H21NY2-2 — CID 161495175

IUPAC9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium)
SMILESC/C=C\C(=C/C)Cn1c2ccc(-c3[c-]cccc3)[c-]c2c2ccccc21.[Y].[Y]
InChIInChI=1S/C25H21N.2Y/c1-3-10-19(4-2)18-26-24-14-9-8-13-22(24)23-17-21(15-16-25(23)26)20-11-6-5-7-12-20;;/h3-11,13-16H,18H2,1-2H3;;/q-2;;/b10-3-,19-4+;;
InChIKeyULNAVWNGNLJUOX-IPBJCGKRSA-N
MW513.26 g/mol
LogP6.58
Rot. Bonds4

About 9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium)

9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium) (PubChem CID 161495175) has the molecular formula C25H21NY2-2 and a molecular weight of 513.26 g/mol. Its IUPAC name is 9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium).

Molecular Properties

Compound Name9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium)
PubChem CID161495175
Molecular FormulaC25H21NY2-2
Molecular Weight513.26 g/mol
Exact Mass512.98
IUPAC Name9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium)
SMILESC/C=C\C(=C/C)Cn1c2ccc(-c3[c-]cccc3)[c-]c2c2ccccc21.[Y].[Y]
InChIInChI=1S/C25H21N.2Y/c1-3-10-19(4-2)18-26-24-14-9-8-13-22(24)23-17-21(15-16-25(23)26)20-11-6-5-7-12-20;;/h3-11,13-16H,18H2,1-2H3;;/q-2;;/b10-3-,19-4+;;
InChIKeyULNAVWNGNLJUOX-IPBJCGKRSA-N
XLogP6.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.26
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;pentakis(yttrium)
CID 158765949
ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium
CID 159471446
ethane;pentakis(N-ethyl-N-methylethanamine);9-ethyl-1-phenyl-2H-carbazol-2-ide;9-ethyl-2-phenyl-1H-carbazol-1-ide;9-ethyl-2-phenyl-3H-carbazol-3-ide;9-ethyl-3-phenyl-2H-carbazol-2-ide;9-ethyl-3-phenyl-4H-carbazol-4-ide;methane;pentakis(yttrium)
CID 158215342
ethane;phenylbenzene;yttrium
CID 161119758
3-(3,6-diphenylcarbazol-9-yl)-4-(3-phenyl-4H-carbazol-4-id-9-yl)benzene-1,2-dicarbonitrile;uranium(2+)
CID 163756051
ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium)
CID 159763189
2,5-di(phenyl)-1,6-dihydronaphthalene-1,6-diide;ethane;tris(yttrium)
CID 162057595
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
palladium(2+);phenylbenzene
CID 58471959
iridium;phenylbenzene
CID 58599975
iridium(3+);9-(2-methylpropyl)-3-pyridin-2-yl-2H-carbazol-2-ide;bis(2-phenylpyridine)
CID 59500152
CID 164795970
CID 164795970

Frequently Asked Questions

What is the IUPAC name of 9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium)?
The IUPAC name of 9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium) (CID 161495175) is 9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium).
What is the SMILES notation for 9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium)?
The canonical SMILES for 9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium) is C/C=C\C(=C/C)Cn1c2ccc(-c3[c-]cccc3)[c-]c2c2ccccc21.[Y].[Y].
What is the InChIKey of 9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium)?
The InChIKey is ULNAVWNGNLJUOX-IPBJCGKRSA-N. The full InChI is InChI=1S/C25H21N.2Y/c1-3-10-19(4-2)18-26-24-14-9-8-13-22(24)23-17-21(15-16-25(23)26)20-11-6-5-7-12-20;;/h3-11,13-16H,18H2,1-2H3;;/q-2;;/b10-3-,19-4+;;.
What are the key properties of 9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium)?
9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium) has a molecular weight of 513.26 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(Z,2E)-2-ethylidenepent-3-enyl]-3-phenyl-4H-carbazol-4-ide;bis(yttrium) is sourced from PubChem (CID 161495175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).