[(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide

C34H29BrCl2N2P+ — CID 126959618

IUPAC[(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
SMILESBr.C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C34H28Cl2N2P.BrH/c1-26(37-38-34(27-17-21-29(35)22-18-27)28-19-23-30(36)24-20-28)25-39(31-11-5-2-6-12-31,32-13-7-3-8-14-32)33-15-9-4-10-16-33;/h2-24H,25H2,1H3;1H/q+1;/b37-26+;
InChIKeyJLVSAOUIHCLHKF-KOESALGSSA-N
MW647.40 g/mol
LogP8.78
Rot. Bonds8

About [(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide

[(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide (PubChem CID 126959618) has the molecular formula C34H29BrCl2N2P+ and a molecular weight of 647.40 g/mol. Its IUPAC name is [(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide.

Molecular Properties

Compound Name[(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
PubChem CID126959618
Molecular FormulaC34H29BrCl2N2P+
Molecular Weight647.40 g/mol
Exact Mass645.06
IUPAC Name[(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
SMILESBr.C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C34H28Cl2N2P.BrH/c1-26(37-38-34(27-17-21-29(35)22-18-27)28-19-23-30(36)24-20-28)25-39(31-11-5-2-6-12-31,32-13-7-3-8-14-32)33-15-9-4-10-16-33;/h2-24H,25H2,1H3;1H/q+1;/b37-26+;
InChIKeyJLVSAOUIHCLHKF-KOESALGSSA-N
XLogP8.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.40
LogP ≤ 58.78
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-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
CID 126958934
[(2E)-2-[(E)-[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium
CID 99078907
[(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
CID 126958888
triphenyl(2-phenyliminopropyl)phosphanium
CID 23415425
(2-oxo-3-triphenylphosphaniumylpropyl)-triphenylphosphanium;dihydrobromide
CID 126957206
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
(4-chlorophenyl)methyl-triphenylphosphanium perchlorate
CID 71389118
(E)-1-(4-chlorophenyl)-1-phenyl-N-propan-2-yloxymethanimine
CID 177465643
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
2-hydroxyprop-2-enyl(triphenyl)phosphanium
CID 87987805
N'-(benzhydrylideneamino)ethanimidamide
CID 11128320
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide?
The IUPAC name of [(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide (CID 126959618) is [(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide.
What is the SMILES notation for [(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide?
The canonical SMILES for [(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide is Br.C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide?
The InChIKey is JLVSAOUIHCLHKF-KOESALGSSA-N. The full InChI is InChI=1S/C34H28Cl2N2P.BrH/c1-26(37-38-34(27-17-21-29(35)22-18-27)28-19-23-30(36)24-20-28)25-39(31-11-5-2-6-12-31,32-13-7-3-8-14-32)33-15-9-4-10-16-33;/h2-24H,25H2,1H3;1H/q+1;/b37-26+;.
What are the key properties of [(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide?
[(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide has a molecular weight of 647.40 g/mol, XLogP of 8.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide is sourced from PubChem (CID 126959618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).