1,4-bis[2-(4-methylphenyl)ethynyl]naphthalene;2-(cyclohexen-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclohexen-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;bis(2-methyl-4-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-1-[2-(4-methylphenyl)ethynyl]benzene);2-methyl-1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene

C219H172F2O — CID 163558711

About 1,4-bis[2-(4-methylphenyl)ethynyl]naphthalene;2-(cyclohexen-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclohexen-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;bis(2-methyl-4-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-1-[2-(4-methylphenyl)ethynyl]benzene);2-methyl-1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene

1,4-bis[2-(4-methylphenyl)ethynyl]naphthalene;2-(cyclohexen-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclohexen-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;bis(2-methyl-4-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-1-[2-(4-methylphenyl)ethynyl]benzene);2-methyl-1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene (PubChem CID 163558711) has the molecular formula C219H172F2O and a molecular weight of 2857.78 g/mol. Its IUPAC name is 1,4-bis[2-(4-methylphenyl)ethynyl]naphthalene;2-(cyclohexen-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclohexen-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;bis(2-methyl-4-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-1-[2-(4-methylphenyl)ethynyl]benzene);2-methyl-1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene.

Molecular Properties

• Compound Name: 1,4-bis[2-(4-methylphenyl)ethynyl]naphthalene;2-(cyclohexen-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclohexen-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;bis(2-methyl-4-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-1-[2-(4-methylphenyl)ethynyl]benzene);2-methyl-1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene
• PubChem CID: 163558711
• Molecular Formula: C219H172F2O
• Molecular Weight: 2857.78 g/mol
• Exact Mass: 2855.34
• IUPAC Name: 1,4-bis[2-(4-methylphenyl)ethynyl]naphthalene;2-(cyclohexen-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclohexen-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;bis(2-methyl-4-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-1-[2-(4-methylphenyl)ethynyl]benzene);2-methyl-1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene
• SMILES: COc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(F)c2C2=CCCCC2)cc1.Cc1ccc(C#Cc2ccc(-c3ccc(C#Cc4ccc(C)cc4)c(C)c3)cc2C)cc1.Cc1ccc(C#Cc2ccc(-c3ccc(C#Cc4ccc(C)cc4)c(C)c3)cc2C)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(C)cc4)c(C)c3)cc2)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(C)cc4)c(C)c3)cc2C)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(C3=CCCCC3)c2F)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C34H26.C33H24.2C32H26.C30H25FO.C30H25F.C28H20/c1-25-5-9-29(10-6-25)15-19-33-21-17-31(23-27(33)3)13-14-32-18-22-34(28(4)24-32)20-16-30-11-7-26(2)8-12-30;1-25-4-8-28(9-5-25)12-13-30-14-16-31(17-15-30)18-19-32-21-23-33(27(3)24-32)22-20-29-10-6-26(2)7-11-29;2*1-23-5-9-27(10-6-23)13-15-29-17-19-31(21-25(29)3)32-20-18-30(26(4)22-32)16-14-28-11-7-24(2)8-12-28;1-22-8-10-23(11-9-22)13-17-27-19-18-26(16-12-24-14-20-28(32-2)21-15-24)29(30(27)31)25-6-4-3-5-7-25;1-22-8-12-24(13-9-22)16-18-27-20-21-28(19-17-25-14-10-23(2)11-15-25)30(31)29(27)26-6-4-3-5-7-26;1-21-7-11-23(12-8-21)15-17-25-19-20-26(28-6-4-3-5-27(25)28)18-16-24-13-9-22(2)10-14-24/h5-12,17-18,21-24H,1-4H3;4-11,14-17,21,23-24H,1-3H3;2*5-12,17-22H,1-4H3;6,8-11,14-15,18-21H,3-5,7H2,1-2H3;6,8-15,20-21H,3-5,7H2,1-2H3;3-14,19-20H,1-2H3
• InChIKey: FPIOUULUNKQMQF-UHFFFAOYSA-N
• XLogP: 49.06
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2857.78
LogP ≤ 5	49.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(4-methylphenyl)ethynyl]naphthalene;2-(cyclohexen-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclohexen-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;bis(2-methyl-4-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-1-[2-(4-methylphenyl)ethynyl]benzene);2-methyl-1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene?

The IUPAC name of 1,4-bis[2-(4-methylphenyl)ethynyl]naphthalene;2-(cyclohexen-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclohexen-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;bis(2-methyl-4-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-1-[2-(4-methylphenyl)ethynyl]benzene);2-methyl-1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene (CID 163558711) is 1,4-bis[2-(4-methylphenyl)ethynyl]naphthalene;2-(cyclohexen-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclohexen-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;bis(2-methyl-4-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-1-[2-(4-methylphenyl)ethynyl]benzene);2-methyl-1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene.

What is the SMILES notation for 1,4-bis[2-(4-methylphenyl)ethynyl]naphthalene;2-(cyclohexen-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclohexen-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;bis(2-methyl-4-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-1-[2-(4-methylphenyl)ethynyl]benzene);2-methyl-1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene?

The canonical SMILES for 1,4-bis[2-(4-methylphenyl)ethynyl]naphthalene;2-(cyclohexen-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclohexen-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;bis(2-methyl-4-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-1-[2-(4-methylphenyl)ethynyl]benzene);2-methyl-1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene is COc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(F)c2C2=CCCCC2)cc1.Cc1ccc(C#Cc2ccc(-c3ccc(C#Cc4ccc(C)cc4)c(C)c3)cc2C)cc1.Cc1ccc(C#Cc2ccc(-c3ccc(C#Cc4ccc(C)cc4)c(C)c3)cc2C)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(C)cc4)c(C)c3)cc2)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(C)cc4)c(C)c3)cc2C)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(C3=CCCCC3)c2F)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c3ccccc23)cc1.

What is the InChIKey of 1,4-bis[2-(4-methylphenyl)ethynyl]naphthalene;2-(cyclohexen-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclohexen-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;bis(2-methyl-4-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-1-[2-(4-methylphenyl)ethynyl]benzene);2-methyl-1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene?

The InChIKey is FPIOUULUNKQMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26.C33H24.2C32H26.C30H25FO.C30H25F.C28H20/c1-25-5-9-29(10-6-25)15-19-33-21-17-31(23-27(33)3)13-14-32-18-22-34(28(4)24-32)20-16-30-11-7-26(2)8-12-30;1-25-4-8-28(9-5-25)12-13-30-14-16-31(17-15-30)18-19-32-21-23-33(27(3)24-32)22-20-29-10-6-26(2)7-11-29;2*1-23-5-9-27(10-6-23)13-15-29-17-19-31(21-25(29)3)32-20-18-30(26(4)22-32)16-14-28-11-7-24(2)8-12-28;1-22-8-10-23(11-9-22)13-17-27-19-18-26(16-12-24-14-20-28(32-2)21-15-24)29(30(27)31)25-6-4-3-5-7-25;1-22-8-12-24(13-9-22)16-18-27-20-21-28(19-17-25-14-10-23(2)11-15-25)30(31)29(27)26-6-4-3-5-7-26;1-21-7-11-23(12-8-21)15-17-25-19-20-26(28-6-4-3-5-27(25)28)18-16-24-13-9-22(2)10-14-24/h5-12,17-18,21-24H,1-4H3;4-11,14-17,21,23-24H,1-3H3;2*5-12,17-22H,1-4H3;6,8-11,14-15,18-21H,3-5,7H2,1-2H3;6,8-15,20-21H,3-5,7H2,1-2H3;3-14,19-20H,1-2H3.

What are the key properties of 1,4-bis[2-(4-methylphenyl)ethynyl]naphthalene;2-(cyclohexen-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclohexen-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;bis(2-methyl-4-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-1-[2-(4-methylphenyl)ethynyl]benzene);2-methyl-1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene?

1,4-bis[2-(4-methylphenyl)ethynyl]naphthalene;2-(cyclohexen-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclohexen-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;bis(2-methyl-4-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-1-[2-(4-methylphenyl)ethynyl]benzene);2-methyl-1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene has a molecular weight of 2857.78 g/mol, XLogP of 49.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-bis[2-(4-methylphenyl)ethynyl]naphthalene;2-(cyclohexen-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclohexen-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-methyl-4-[2-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]-1-[2-(4-methylphenyl)ethynyl]benzene;bis(2-methyl-4-[3-methyl-4-[2-(4-methylphenyl)ethynyl]phenyl]-1-[2-(4-methylphenyl)ethynyl]benzene);2-methyl-1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene is sourced from PubChem (CID 163558711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).