2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene

C266H174F10 — CID 159907950

IUPAC2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene
SMILESC(#Cc1ccc2c(ccc3cc(C#Cc4ccccc4)ccc32)c1)c1ccccc1.C(#Cc1ccc2cc3cc4cc(C#Cc5ccccc5)ccc4cc3cc2c1)c1ccccc1.CCCCCCc1ccc(C#Cc2ccc3c(ccc4cc(C#Cc5ccc(CCCCCC)cc5)ccc43)c2)cc1.Cc1ccc(C#Cc2ccc3c(ccc4cc(C#Cc5ccc(C(F)(F)F)cc5)ccc43)c2)cc1.Cc1ccc(C#Cc2ccc3cc4cc(C#Cc5ccc(C(F)(F)F)cc5)ccc4cc3c2)cc1.Cc1ccc(C#Cc2ccc3cc4cc5cc(C#Cc6ccc(C)cc6)ccc5cc4cc3c2)cc1.Fc1ccc(C#Cc2ccc3c(ccc4cc(C#Cc5ccc(F)cc5)ccc43)c2)cc1.Fc1ccc(C#Cc2ccc3cc4cc(C#Cc5ccc(F)cc5)ccc4cc3c2)cc1
InChIInChI=1S/C42H42.C36H24.C34H20.2C32H19F3.2C30H16F2.C30H18/c1-3-5-7-9-11-33-13-17-35(18-14-33)21-23-37-25-29-41-39(31-37)27-28-40-32-38(26-30-42(40)41)24-22-36-19-15-34(16-20-36)12-10-8-6-4-2;1-25-3-7-27(8-4-25)11-13-29-15-17-31-21-36-24-34-20-30(14-12-28-9-5-26(2)6-10-28)16-18-32(34)22-35(36)23-33(31)19-29;1-3-7-25(8-4-1)11-13-27-15-17-29-21-34-24-32-20-28(14-12-26-9-5-2-6-10-26)16-18-30(32)22-33(34)23-31(29)19-27;1-22-2-4-23(5-3-22)6-8-25-12-18-30-27(20-25)14-15-28-21-26(13-19-31(28)30)9-7-24-10-16-29(17-11-24)32(33,34)35;1-22-2-4-23(5-3-22)6-8-25-10-14-27-21-30-19-26(11-15-28(30)20-29(27)18-25)9-7-24-12-16-31(17-13-24)32(33,34)35;31-27-13-5-21(6-14-27)1-3-23-9-17-29-25(19-23)11-12-26-20-24(10-18-30(26)29)4-2-22-7-15-28(32)16-8-22;31-29-13-7-21(8-14-29)1-3-23-5-11-25-20-28-18-24(6-12-26(28)19-27(25)17-23)4-2-22-9-15-30(32)16-10-22;1-3-7-23(8-4-1)11-13-25-15-19-29-27(21-25)17-18-28-22-26(16-20-30(28)29)14-12-24-9-5-2-6-10-24/h13-20,25-32H,3-12H2,1-2H3;3-10,15-24H,1-2H3;1-10,15-24H;2*2-5,10-21H,1H3;2*5-20H;1-10,15-22H
InChIKeyNWUSROYZNNPKOJ-UHFFFAOYSA-N
MW3560.30 g/mol
LogP64.72
Rot. Bonds10

About 2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene

2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene (PubChem CID 159907950) has the molecular formula C266H174F10 and a molecular weight of 3560.30 g/mol. Its IUPAC name is 2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene.

Molecular Properties

Compound Name2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene
PubChem CID159907950
Molecular FormulaC266H174F10
Molecular Weight3560.30 g/mol
Exact Mass3557.35
IUPAC Name2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene
SMILESC(#Cc1ccc2c(ccc3cc(C#Cc4ccccc4)ccc32)c1)c1ccccc1.C(#Cc1ccc2cc3cc4cc(C#Cc5ccccc5)ccc4cc3cc2c1)c1ccccc1.CCCCCCc1ccc(C#Cc2ccc3c(ccc4cc(C#Cc5ccc(CCCCCC)cc5)ccc43)c2)cc1.Cc1ccc(C#Cc2ccc3c(ccc4cc(C#Cc5ccc(C(F)(F)F)cc5)ccc43)c2)cc1.Cc1ccc(C#Cc2ccc3cc4cc(C#Cc5ccc(C(F)(F)F)cc5)ccc4cc3c2)cc1.Cc1ccc(C#Cc2ccc3cc4cc5cc(C#Cc6ccc(C)cc6)ccc5cc4cc3c2)cc1.Fc1ccc(C#Cc2ccc3c(ccc4cc(C#Cc5ccc(F)cc5)ccc43)c2)cc1.Fc1ccc(C#Cc2ccc3cc4cc(C#Cc5ccc(F)cc5)ccc4cc3c2)cc1
InChIInChI=1S/C42H42.C36H24.C34H20.2C32H19F3.2C30H16F2.C30H18/c1-3-5-7-9-11-33-13-17-35(18-14-33)21-23-37-25-29-41-39(31-37)27-28-40-32-38(26-30-42(40)41)24-22-36-19-15-34(16-20-36)12-10-8-6-4-2;1-25-3-7-27(8-4-25)11-13-29-15-17-31-21-36-24-34-20-30(14-12-28-9-5-26(2)6-10-28)16-18-32(34)22-35(36)23-33(31)19-29;1-3-7-25(8-4-1)11-13-27-15-17-29-21-34-24-32-20-28(14-12-26-9-5-2-6-10-26)16-18-30(32)22-33(34)23-31(29)19-27;1-22-2-4-23(5-3-22)6-8-25-12-18-30-27(20-25)14-15-28-21-26(13-19-31(28)30)9-7-24-10-16-29(17-11-24)32(33,34)35;1-22-2-4-23(5-3-22)6-8-25-10-14-27-21-30-19-26(11-15-28(30)20-29(27)18-25)9-7-24-12-16-31(17-13-24)32(33,34)35;31-27-13-5-21(6-14-27)1-3-23-9-17-29-25(19-23)11-12-26-20-24(10-18-30(26)29)4-2-22-7-15-28(32)16-8-22;31-29-13-7-21(8-14-29)1-3-23-5-11-25-20-28-18-24(6-12-26(28)19-27(25)17-23)4-2-22-9-15-30(32)16-10-22;1-3-7-23(8-4-1)11-13-25-15-19-29-27(21-25)17-18-28-22-26(16-20-30(28)29)14-12-24-9-5-2-6-10-24/h13-20,25-32H,3-12H2,1-2H3;3-10,15-24H,1-2H3;1-10,15-24H;2*2-5,10-21H,1H3;2*5-20H;1-10,15-22H
InChIKeyNWUSROYZNNPKOJ-UHFFFAOYSA-N
XLogP64.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms276
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003560.30
LogP ≤ 564.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene with MolForge

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Related Compounds

6-[2-(4-butylphenyl)ethynyl]-1-fluoro-2-[4-(trifluoromethyl)phenyl]naphthalene
CID 139850769
1-fluoro-2-[2-[4-[2-(4-heptylphenyl)ethynyl]phenyl]ethynyl]-6-methylnaphthalene
CID 139875804
2-heptyl-6-[2-(4-methylphenyl)ethynyl]naphthalene
CID 19912422
2-[2-(4-butylphenyl)ethynyl]-1-fluoro-6-[2-(4-heptylphenyl)ethynyl]naphthalene
CID 139876452
6-[2-(4-butylphenyl)ethynyl]-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139850661
4-[2-(4-fluorophenyl)ethynyl]-1-[2-(4-hexylphenyl)ethynyl]-2-methylbenzene
CID 100957948
2,3-difluoro-6-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139858468
1-fluoro-6-[2-(4-hexylphenyl)ethynyl]-2-(4-pentylphenyl)naphthalene
CID 139876040
1-fluoro-2-(4-heptylphenyl)-6-[2-(4-heptylphenyl)ethynyl]naphthalene
CID 139876950
2-hexyl-7-[2-[4-(trifluoromethoxy)phenyl]ethynyl]phenanthrene
CID 139883977
4-[2-(4-fluorophenyl)ethynyl]-2-methyl-1-[2-(4-pentylphenyl)ethynyl]benzene
CID 100957955
2-fluoro-1-[2-(4-heptylphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene
CID 54074028

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene?
The IUPAC name of 2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene (CID 159907950) is 2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene.
What is the SMILES notation for 2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene?
The canonical SMILES for 2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene is C(#Cc1ccc2c(ccc3cc(C#Cc4ccccc4)ccc32)c1)c1ccccc1.C(#Cc1ccc2cc3cc4cc(C#Cc5ccccc5)ccc4cc3cc2c1)c1ccccc1.CCCCCCc1ccc(C#Cc2ccc3c(ccc4cc(C#Cc5ccc(CCCCCC)cc5)ccc43)c2)cc1.Cc1ccc(C#Cc2ccc3c(ccc4cc(C#Cc5ccc(C(F)(F)F)cc5)ccc43)c2)cc1.Cc1ccc(C#Cc2ccc3cc4cc(C#Cc5ccc(C(F)(F)F)cc5)ccc4cc3c2)cc1.Cc1ccc(C#Cc2ccc3cc4cc5cc(C#Cc6ccc(C)cc6)ccc5cc4cc3c2)cc1.Fc1ccc(C#Cc2ccc3c(ccc4cc(C#Cc5ccc(F)cc5)ccc43)c2)cc1.Fc1ccc(C#Cc2ccc3cc4cc(C#Cc5ccc(F)cc5)ccc4cc3c2)cc1.
What is the InChIKey of 2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene?
The InChIKey is NWUSROYZNNPKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42.C36H24.C34H20.2C32H19F3.2C30H16F2.C30H18/c1-3-5-7-9-11-33-13-17-35(18-14-33)21-23-37-25-29-41-39(31-37)27-28-40-32-38(26-30-42(40)41)24-22-36-19-15-34(16-20-36)12-10-8-6-4-2;1-25-3-7-27(8-4-25)11-13-29-15-17-31-21-36-24-34-20-30(14-12-28-9-5-26(2)6-10-28)16-18-32(34)22-35(36)23-33(31)19-29;1-3-7-25(8-4-1)11-13-27-15-17-29-21-34-24-32-20-28(14-12-26-9-5-2-6-10-26)16-18-30(32)22-33(34)23-31(29)19-27;1-22-2-4-23(5-3-22)6-8-25-12-18-30-27(20-25)14-15-28-21-26(13-19-31(28)30)9-7-24-10-16-29(17-11-24)32(33,34)35;1-22-2-4-23(5-3-22)6-8-25-10-14-27-21-30-19-26(11-15-28(30)20-29(27)18-25)9-7-24-12-16-31(17-13-24)32(33,34)35;31-27-13-5-21(6-14-27)1-3-23-9-17-29-25(19-23)11-12-26-20-24(10-18-30(26)29)4-2-22-7-15-28(32)16-8-22;31-29-13-7-21(8-14-29)1-3-23-5-11-25-20-28-18-24(6-12-26(28)19-27(25)17-23)4-2-22-9-15-30(32)16-10-22;1-3-7-23(8-4-1)11-13-25-15-19-29-27(21-25)17-18-28-22-26(16-20-30(28)29)14-12-24-9-5-2-6-10-24/h13-20,25-32H,3-12H2,1-2H3;3-10,15-24H,1-2H3;1-10,15-24H;2*2-5,10-21H,1H3;2*5-20H;1-10,15-22H.
What are the key properties of 2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene?
2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene has a molecular weight of 3560.30 g/mol, XLogP of 64.72, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-(4-fluorophenyl)ethynyl]anthracene;2,7-bis[2-(4-fluorophenyl)ethynyl]phenanthrene;2,7-bis[2-(4-hexylphenyl)ethynyl]phenanthrene;2,8-bis[2-(4-methylphenyl)ethynyl]tetracene;2,7-bis(2-phenylethynyl)phenanthrene;2,8-bis(2-phenylethynyl)tetracene;2-[2-(4-methylphenyl)ethynyl]-6-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene;2-[2-(4-methylphenyl)ethynyl]-7-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenanthrene is sourced from PubChem (CID 159907950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).