bis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane

C24H22N5PS — CID 2999169

IUPACbis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane
SMILESC=Cn1ccnc1P(=S)(c1ccc2c(c1)c1ccccc1n2CC)c1nccn1C=C
InChIInChI=1S/C24H22N5PS/c1-4-27-15-13-25-23(27)30(31,24-26-14-16-28(24)5-2)18-11-12-22-20(17-18)19-9-7-8-10-21(19)29(22)6-3/h4-5,7-17H,1-2,6H2,3H3
InChIKeyVAIWXADYRRVRQU-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.16
Rot. Bonds6

About bis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane

bis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane (PubChem CID 2999169) has the molecular formula C24H22N5PS and a molecular weight of 443.52 g/mol. Its IUPAC name is bis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane
PubChem CID2999169
Molecular FormulaC24H22N5PS
Molecular Weight443.52 g/mol
Exact Mass443.13
IUPAC Namebis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane
SMILESC=Cn1ccnc1P(=S)(c1ccc2c(c1)c1ccccc1n2CC)c1nccn1C=C
InChIInChI=1S/C24H22N5PS/c1-4-27-15-13-25-23(27)30(31,24-26-14-16-28(24)5-2)18-11-12-22-20(17-18)19-9-7-8-10-21(19)29(22)6-3/h4-5,7-17H,1-2,6H2,3H3
InChIKeyVAIWXADYRRVRQU-UHFFFAOYSA-N
XLogP4.16
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of bis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane (CID 2999169) is bis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for bis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for bis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane is C=Cn1ccnc1P(=S)(c1ccc2c(c1)c1ccccc1n2CC)c1nccn1C=C.
What is the InChIKey of bis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane?
The InChIKey is VAIWXADYRRVRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N5PS/c1-4-27-15-13-25-23(27)30(31,24-26-14-16-28(24)5-2)18-11-12-22-20(17-18)19-9-7-8-10-21(19)29(22)6-3/h4-5,7-17H,1-2,6H2,3H3.
What are the key properties of bis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane?
bis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane has a molecular weight of 443.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethenylimidazol-2-yl)-(9-ethylcarbazol-3-yl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 2999169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).