[[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium

C35H31N3O2P+ — CID 132837853

IUPAC[[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium
SMILESc1ccc(COn2ccn(OCc3ccccc3)c2=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H31N3O2P/c1-6-16-30(17-7-1)28-39-37-26-27-38(40-29-31-18-8-2-9-19-31)35(37)36-41(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-27H,28-29H2/q+1
InChIKeyFTAODAFQXUIEPQ-UHFFFAOYSA-N
MW556.63 g/mol
LogP5.36
Rot. Bonds10

About [[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium

[[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium (PubChem CID 132837853) has the molecular formula C35H31N3O2P+ and a molecular weight of 556.63 g/mol. Its IUPAC name is [[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium.

Molecular Properties

Compound Name[[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium
PubChem CID132837853
Molecular FormulaC35H31N3O2P+
Molecular Weight556.63 g/mol
Exact Mass556.21
IUPAC Name[[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium
SMILESc1ccc(COn2ccn(OCc3ccccc3)c2=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H31N3O2P/c1-6-16-30(17-7-1)28-39-37-26-27-38(40-29-31-18-8-2-9-19-31)35(37)36-41(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-27H,28-29H2/q+1
InChIKeyFTAODAFQXUIEPQ-UHFFFAOYSA-N
XLogP5.36
TPSA40.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.63
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium?
The IUPAC name of [[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium (CID 132837853) is [[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium.
What is the SMILES notation for [[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium?
The canonical SMILES for [[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium is c1ccc(COn2ccn(OCc3ccccc3)c2=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium?
The InChIKey is FTAODAFQXUIEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N3O2P/c1-6-16-30(17-7-1)28-39-37-26-27-38(40-29-31-18-8-2-9-19-31)35(37)36-41(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-27H,28-29H2/q+1.
What are the key properties of [[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium?
[[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium has a molecular weight of 556.63 g/mol, XLogP of 5.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[1,3-bis(phenylmethoxy)imidazol-2-ylidene]amino]-triphenylphosphanium is sourced from PubChem (CID 132837853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).