(5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene

C25H16F4 — CID 163819914

About (5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene

(5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene (PubChem CID 163819914) has the molecular formula C25H16F4 and a molecular weight of 392.40 g/mol. Its IUPAC name is (5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene.

Molecular Properties

• Compound Name: (5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene
• PubChem CID: 163819914
• Molecular Formula: C25H16F4
• Molecular Weight: 392.40 g/mol
• Exact Mass: 392.12
• IUPAC Name: (5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene
• SMILES: C=c1ccc(=c2ccc(=c3cc/c(=C4/C=C(F)C(F)=C(F)C4)c(F)c3)cc2)cc1
• InChI: InChI=1S/C25H16F4/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)19-10-11-21(22(26)12-19)20-13-23(27)25(29)24(28)14-20/h2-13H,1,14H2/b21-20+
• InChIKey: NUMOVPWVCSFMBM-QZQOTICOSA-N
• XLogP: 5.37
• TPSA: 0.00 Ų
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.40
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of (5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene?

The IUPAC name of (5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene (CID 163819914) is (5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene.

What is the SMILES notation for (5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene?

The canonical SMILES for (5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene is C=c1ccc(=c2ccc(=c3cc/c(=C4/C=C(F)C(F)=C(F)C4)c(F)c3)cc2)cc1.

What is the InChIKey of (5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene?

The InChIKey is NUMOVPWVCSFMBM-QZQOTICOSA-N. The full InChI is InChI=1S/C25H16F4/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)19-10-11-21(22(26)12-19)20-13-23(27)25(29)24(28)14-20/h2-13H,1,14H2/b21-20+.

What are the key properties of (5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene?

(5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene has a molecular weight of 392.40 g/mol, XLogP of 5.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylidenecyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-1,3-diene is sourced from PubChem (CID 163819914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).