[(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide

C34H30BrClN2P+ — CID 126958934

IUPAC[(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
SMILESBr.C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C34H29ClN2P.BrH/c1-27(36-37-34(28-14-6-2-7-15-28)29-22-24-30(35)25-23-29)26-38(31-16-8-3-9-17-31,32-18-10-4-11-19-32)33-20-12-5-13-21-33;/h2-25H,26H2,1H3;1H/q+1;/b36-27+,37-34?;
InChIKeyHCTJLPNXPLDFHH-JFPINQQSSA-N
MW612.96 g/mol
LogP8.13
Rot. Bonds8

About [(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide

[(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide (PubChem CID 126958934) has the molecular formula C34H30BrClN2P+ and a molecular weight of 612.96 g/mol. Its IUPAC name is [(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide.

Molecular Properties

Compound Name[(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
PubChem CID126958934
Molecular FormulaC34H30BrClN2P+
Molecular Weight612.96 g/mol
Exact Mass611.10
IUPAC Name[(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
SMILESBr.C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C34H29ClN2P.BrH/c1-27(36-37-34(28-14-6-2-7-15-28)29-22-24-30(35)25-23-29)26-38(31-16-8-3-9-17-31,32-18-10-4-11-19-32)33-20-12-5-13-21-33;/h2-25H,26H2,1H3;1H/q+1;/b36-27+,37-34?;
InChIKeyHCTJLPNXPLDFHH-JFPINQQSSA-N
XLogP8.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.96
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2E)-2-[(E)-[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium
CID 99078907
[(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
CID 126959618
[(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
CID 126958888
triphenyl(2-phenyliminopropyl)phosphanium
CID 23415425
(E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine
CID 177465643
(2-oxo-3-triphenylphosphaniumylpropyl)-triphenylphosphanium;dihydrobromide
CID 126957206
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
N'-(benzhydrylideneamino)ethanimidamide
CID 11128320
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
(4-chlorophenyl)methyl-triphenylphosphanium perchlorate
CID 71389118
4-[(Z)-N-[(Z)-[(4-aminophenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]aniline
CID 6871279

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide?
The IUPAC name of [(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide (CID 126958934) is [(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide.
What is the SMILES notation for [(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide?
The canonical SMILES for [(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide is Br.C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide?
The InChIKey is HCTJLPNXPLDFHH-JFPINQQSSA-N. The full InChI is InChI=1S/C34H29ClN2P.BrH/c1-27(36-37-34(28-14-6-2-7-15-28)29-22-24-30(35)25-23-29)26-38(31-16-8-3-9-17-31,32-18-10-4-11-19-32)33-20-12-5-13-21-33;/h2-25H,26H2,1H3;1H/q+1;/b36-27+,37-34?;.
What are the key properties of [(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide?
[(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide has a molecular weight of 612.96 g/mol, XLogP of 8.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide is sourced from PubChem (CID 126958934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).