1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea

C33H27N11O2 — CID 6052342

IUPAC1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea
SMILESO=C(N/N=C\c1cccc(/C=N\NC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C33H27N11O2/c45-32(37-24-14-18-28(19-15-24)41-39-26-8-3-1-4-9-26)43-34-22-30-12-7-13-31(36-30)23-35-44-33(46)38-25-16-20-29(21-17-25)42-40-27-10-5-2-6-11-27/h1-23H,(H2,37,43,45)(H2,38,44,46)/b34-22-,35-23-,41-39+,42-40+
InChIKeyVWGURBURQKEZPX-QOSCKWBYSA-N
MW609.65 g/mol
LogP8.22
Rot. Bonds10

About 1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea

1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea (PubChem CID 6052342) has the molecular formula C33H27N11O2 and a molecular weight of 609.65 g/mol. Its IUPAC name is 1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea.

Molecular Properties

Compound Name1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea
PubChem CID6052342
Molecular FormulaC33H27N11O2
Molecular Weight609.65 g/mol
Exact Mass609.23
IUPAC Name1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea
SMILESO=C(N/N=C\c1cccc(/C=N\NC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C33H27N11O2/c45-32(37-24-14-18-28(19-15-24)41-39-26-8-3-1-4-9-26)43-34-22-30-12-7-13-31(36-30)23-35-44-33(46)38-25-16-20-29(21-17-25)42-40-27-10-5-2-6-11-27/h1-23H,(H2,37,43,45)(H2,38,44,46)/b34-22-,35-23-,41-39+,42-40+
InChIKeyVWGURBURQKEZPX-QOSCKWBYSA-N
XLogP8.22
TPSA169.31 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.65
LogP ≤ 58.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea?
The IUPAC name of 1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea (CID 6052342) is 1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea.
What is the SMILES notation for 1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea?
The canonical SMILES for 1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea is O=C(N/N=C\c1cccc(/C=N\NC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea?
The InChIKey is VWGURBURQKEZPX-QOSCKWBYSA-N. The full InChI is InChI=1S/C33H27N11O2/c45-32(37-24-14-18-28(19-15-24)41-39-26-8-3-1-4-9-26)43-34-22-30-12-7-13-31(36-30)23-35-44-33(46)38-25-16-20-29(21-17-25)42-40-27-10-5-2-6-11-27/h1-23H,(H2,37,43,45)(H2,38,44,46)/b34-22-,35-23-,41-39+,42-40+.
What are the key properties of 1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea?
1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea has a molecular weight of 609.65 g/mol, XLogP of 8.22, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyldiazenylphenyl)-3-[(Z)-[6-[(Z)-[(4-phenyldiazenylphenyl)carbamoylhydrazinylidene]methyl]-2-pyridinyl]methylideneamino]urea is sourced from PubChem (CID 6052342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).