N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine

C35H24N4 — CID 145117399

About N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine

N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine (PubChem CID 145117399) has the molecular formula C35H24N4 and a molecular weight of 500.61 g/mol. Its IUPAC name is N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine.

Molecular Properties

• Compound Name: N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine
• PubChem CID: 145117399
• Molecular Formula: C35H24N4
• Molecular Weight: 500.61 g/mol
• Exact Mass: 500.20
• IUPAC Name: N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine
• SMILES: [H]/N=C1\C=C(c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)C=C\C1=N\Nc1ccncc1
• InChI: InChI=1S/C35H24N4/c36-32-22-26(15-16-33(32)39-38-27-17-19-37-20-18-27)35-30-11-5-3-9-28(30)34(29-10-4-6-12-31(29)35)25-14-13-23-7-1-2-8-24(23)21-25/h1-22,36H,(H,37,38)/b36-32+,39-33-
• InChIKey: BWDKXDGUFUQXMD-OPTKTUFJSA-N
• XLogP: 8.65
• TPSA: 61.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.61
LogP ≤ 5	8.65
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 N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine?

The IUPAC name of N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine (CID 145117399) is N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine.

What is the SMILES notation for N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine?

The canonical SMILES for N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine is [H]/N=C1\C=C(c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)C=C\C1=N\Nc1ccncc1.

What is the InChIKey of N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine?

The InChIKey is BWDKXDGUFUQXMD-OPTKTUFJSA-N. The full InChI is InChI=1S/C35H24N4/c36-32-22-26(15-16-33(32)39-38-27-17-19-37-20-18-27)35-30-11-5-3-9-28(30)34(29-10-4-6-12-31(29)35)25-14-13-23-7-1-2-8-24(23)21-25/h1-22,36H,(H,37,38)/b36-32+,39-33-.

What are the key properties of N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine?

N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine has a molecular weight of 500.61 g/mol, XLogP of 8.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[6-imino-4-(10-naphthalen-2-ylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]pyridin-4-amine is sourced from PubChem (CID 145117399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).