[(6Z)-6-[[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]hydrazinylidene]-3-(4-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-ylidene]azanium

C42H30N5+ — CID 172918573

About [(6Z)-6-[[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]hydrazinylidene]-3-(4-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-ylidene]azanium

[(6Z)-6-[[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]hydrazinylidene]-3-(4-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-ylidene]azanium (PubChem CID 172918573) has the molecular formula C42H30N5+ and a molecular weight of 604.74 g/mol. Its IUPAC name is [(6Z)-6-[[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]hydrazinylidene]-3-(4-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-ylidene]azanium.

Molecular Properties

• Compound Name: [(6Z)-6-[[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]hydrazinylidene]-3-(4-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-ylidene]azanium
• PubChem CID: 172918573
• Molecular Formula: C42H30N5+
• Molecular Weight: 604.74 g/mol
• Exact Mass: 604.25
• IUPAC Name: [(6Z)-6-[[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]hydrazinylidene]-3-(4-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-ylidene]azanium
• SMILES: [NH2+]=C1C=C(c2ccc(-c3cccnc3)cc2)C=C/C1=N/Nc1ccc(-c2c3ccccc3c(-c3cccnc3)c3ccccc23)cc1
• InChI: InChI=1S/C42H29N5/c43-39-25-31(28-13-15-29(16-14-28)32-7-5-23-44-26-32)19-22-40(39)47-46-34-20-17-30(18-21-34)41-35-9-1-3-11-37(35)42(33-8-6-24-45-27-33)38-12-4-2-10-36(38)41/h1-27,43,46H/p+1/b43-39?,47-40-
• InChIKey: DJMQOGDEYVVDEF-ZQQDVNKZSA-O
• XLogP: 8.41
• TPSA: 75.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.74
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(6Z)-6-[[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]hydrazinylidene]-3-(4-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-ylidene]azanium?

The IUPAC name of [(6Z)-6-[[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]hydrazinylidene]-3-(4-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-ylidene]azanium (CID 172918573) is [(6Z)-6-[[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]hydrazinylidene]-3-(4-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-ylidene]azanium.

What is the SMILES notation for [(6Z)-6-[[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]hydrazinylidene]-3-(4-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-ylidene]azanium?

The canonical SMILES for [(6Z)-6-[[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]hydrazinylidene]-3-(4-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-ylidene]azanium is [NH2+]=C1C=C(c2ccc(-c3cccnc3)cc2)C=C/C1=N/Nc1ccc(-c2c3ccccc3c(-c3cccnc3)c3ccccc23)cc1.

What is the InChIKey of [(6Z)-6-[[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]hydrazinylidene]-3-(4-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-ylidene]azanium?

The InChIKey is DJMQOGDEYVVDEF-ZQQDVNKZSA-O. The full InChI is InChI=1S/C42H29N5/c43-39-25-31(28-13-15-29(16-14-28)32-7-5-23-44-26-32)19-22-40(39)47-46-34-20-17-30(18-21-34)41-35-9-1-3-11-37(35)42(33-8-6-24-45-27-33)38-12-4-2-10-36(38)41/h1-27,43,46H/p+1/b43-39?,47-40-.

What are the key properties of [(6Z)-6-[[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]hydrazinylidene]-3-(4-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-ylidene]azanium?

[(6Z)-6-[[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]hydrazinylidene]-3-(4-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-ylidene]azanium has a molecular weight of 604.74 g/mol, XLogP of 8.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(6Z)-6-[[4-(10-pyridin-3-ylanthracen-9-yl)phenyl]hydrazinylidene]-3-(4-pyridin-3-ylphenyl)cyclohexa-2,4-dien-1-ylidene]azanium is sourced from PubChem (CID 172918573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).