[(6Z)-4-[3-(7-fluoro-3-methyl-3,4,7,8-tetrahydronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-2-[3-(7-fluoronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-6-[(2-naphthalen-1-ylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]azanium

C65H48F2N5+ — CID 172988823

About [(6Z)-4-[3-(7-fluoro-3-methyl-3,4,7,8-tetrahydronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-2-[3-(7-fluoronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-6-[(2-naphthalen-1-ylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]azanium

[(6Z)-4-[3-(7-fluoro-3-methyl-3,4,7,8-tetrahydronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-2-[3-(7-fluoronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-6-[(2-naphthalen-1-ylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]azanium (PubChem CID 172988823) has the molecular formula C65H48F2N5+ and a molecular weight of 937.13 g/mol. Its IUPAC name is [(6Z)-4-[3-(7-fluoro-3-methyl-3,4,7,8-tetrahydronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-2-[3-(7-fluoronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-6-[(2-naphthalen-1-ylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]azanium.

Molecular Properties

• Compound Name: [(6Z)-4-[3-(7-fluoro-3-methyl-3,4,7,8-tetrahydronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-2-[3-(7-fluoronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-6-[(2-naphthalen-1-ylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]azanium
• PubChem CID: 172988823
• Molecular Formula: C65H48F2N5+
• Molecular Weight: 937.13 g/mol
• Exact Mass: 936.39
• IUPAC Name: [(6Z)-4-[3-(7-fluoro-3-methyl-3,4,7,8-tetrahydronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-2-[3-(7-fluoronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-6-[(2-naphthalen-1-ylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]azanium
• SMILES: CC1CC2=C(C=C1c1cc(C3=C/C(=N/Nc4ccccc4-c4cccc5ccccc45)C(=[NH2+])C(c4cc(-c5ccc6ccc(F)cc6c5)cc(-c5ccccn5)c4)=C3)cc(-c3ccccn3)c1)CC(F)C=C2
• InChI: InChI=1S/C65H47F2N5/c1-40-27-43-22-24-55(67)36-48(43)37-59(40)50-30-46(32-53(33-50)62-17-7-9-26-70-62)49-38-60(65(68)64(39-49)72-71-63-18-5-4-14-58(63)57-15-10-12-42-11-2-3-13-56(42)57)51-29-45(31-52(34-51)61-16-6-8-25-69-61)44-20-19-41-21-23-54(66)35-47(41)28-44/h2-26,28-35,37-40,55,68,71H,27,36H2,1H3/p+1/b68-65?,72-64-
• InChIKey: LUFNGVDJDIZWAC-YQBLZNIWSA-O
• XLogP: 14.76
• TPSA: 75.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.13
LogP ≤ 5	14.76
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)-4-[3-(7-fluoro-3-methyl-3,4,7,8-tetrahydronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-2-[3-(7-fluoronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-6-[(2-naphthalen-1-ylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]azanium?

The IUPAC name of [(6Z)-4-[3-(7-fluoro-3-methyl-3,4,7,8-tetrahydronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-2-[3-(7-fluoronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-6-[(2-naphthalen-1-ylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]azanium (CID 172988823) is [(6Z)-4-[3-(7-fluoro-3-methyl-3,4,7,8-tetrahydronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-2-[3-(7-fluoronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-6-[(2-naphthalen-1-ylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]azanium.

What is the SMILES notation for [(6Z)-4-[3-(7-fluoro-3-methyl-3,4,7,8-tetrahydronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-2-[3-(7-fluoronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-6-[(2-naphthalen-1-ylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]azanium?

The canonical SMILES for [(6Z)-4-[3-(7-fluoro-3-methyl-3,4,7,8-tetrahydronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-2-[3-(7-fluoronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-6-[(2-naphthalen-1-ylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]azanium is CC1CC2=C(C=C1c1cc(C3=C/C(=N/Nc4ccccc4-c4cccc5ccccc45)C(=[NH2+])C(c4cc(-c5ccc6ccc(F)cc6c5)cc(-c5ccccn5)c4)=C3)cc(-c3ccccn3)c1)CC(F)C=C2.

What is the InChIKey of [(6Z)-4-[3-(7-fluoro-3-methyl-3,4,7,8-tetrahydronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-2-[3-(7-fluoronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-6-[(2-naphthalen-1-ylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]azanium?

The InChIKey is LUFNGVDJDIZWAC-YQBLZNIWSA-O. The full InChI is InChI=1S/C65H47F2N5/c1-40-27-43-22-24-55(67)36-48(43)37-59(40)50-30-46(32-53(33-50)62-17-7-9-26-70-62)49-38-60(65(68)64(39-49)72-71-63-18-5-4-14-58(63)57-15-10-12-42-11-2-3-13-56(42)57)51-29-45(31-52(34-51)61-16-6-8-25-69-61)44-20-19-41-21-23-54(66)35-47(41)28-44/h2-26,28-35,37-40,55,68,71H,27,36H2,1H3/p+1/b68-65?,72-64-.

What are the key properties of [(6Z)-4-[3-(7-fluoro-3-methyl-3,4,7,8-tetrahydronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-2-[3-(7-fluoronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-6-[(2-naphthalen-1-ylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]azanium?

[(6Z)-4-[3-(7-fluoro-3-methyl-3,4,7,8-tetrahydronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-2-[3-(7-fluoronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-6-[(2-naphthalen-1-ylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]azanium has a molecular weight of 937.13 g/mol, XLogP of 14.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(6Z)-4-[3-(7-fluoro-3-methyl-3,4,7,8-tetrahydronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-2-[3-(7-fluoronaphthalen-2-yl)-5-pyridin-2-ylphenyl]-6-[(2-naphthalen-1-ylphenyl)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]azanium is sourced from PubChem (CID 172988823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).