2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene

C69H45F5 — CID 143048698

IUPAC2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene
SMILESCc1ccc(-c2ccc(-c3c4ccc(-c5ccc(C)cc5F)cc4c(-c4ccccc4)c4c(-c5ccc(-c6ccc(C)cc6F)cc5)c5ccc(-c6ccc(F)cc6F)cc5c(-c5ccccc5)c34)cc2)c(F)c1
InChIInChI=1S/C69H45F5/c1-40-14-28-52(60(71)34-40)43-17-21-47(22-18-43)64-56-31-25-49(54-30-16-42(3)36-62(54)73)37-58(56)66(45-10-6-4-7-11-45)68-65(48-23-19-44(20-24-48)53-29-15-41(2)35-61(53)72)57-32-26-50(55-33-27-51(70)39-63(55)74)38-59(57)67(69(64)68)46-12-8-5-9-13-46/h4-39H,1-3H3
InChIKeyOMZDQTUQAIPBLT-UHFFFAOYSA-N
MW969.11 g/mol
LogP20.10
Rot. Bonds8

About 2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene

2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene (PubChem CID 143048698) has the molecular formula C69H45F5 and a molecular weight of 969.11 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene
PubChem CID143048698
Molecular FormulaC69H45F5
Molecular Weight969.11 g/mol
Exact Mass968.34
IUPAC Name2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene
SMILESCc1ccc(-c2ccc(-c3c4ccc(-c5ccc(C)cc5F)cc4c(-c4ccccc4)c4c(-c5ccc(-c6ccc(C)cc6F)cc5)c5ccc(-c6ccc(F)cc6F)cc5c(-c5ccccc5)c34)cc2)c(F)c1
InChIInChI=1S/C69H45F5/c1-40-14-28-52(60(71)34-40)43-17-21-47(22-18-43)64-56-31-25-49(54-30-16-42(3)36-62(54)73)37-58(56)66(45-10-6-4-7-11-45)68-65(48-23-19-44(20-24-48)53-29-15-41(2)35-61(53)72)57-32-26-50(55-33-27-51(70)39-63(55)74)38-59(57)67(69(64)68)46-12-8-5-9-13-46/h4-39H,1-3H3
InChIKeyOMZDQTUQAIPBLT-UHFFFAOYSA-N
XLogP20.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.11
LogP ≤ 520.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene
CID 87429066
5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene
CID 58846893
9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene
CID 87425597
2-fluoro-4-methyl-1-(3-methylphenyl)benzene
CID 142157742
9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene
CID 87425893
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
2,3,8-trimethyl-12-(4-methylphenyl)-5,11-diphenyl-6-(2,4,6-trimethylphenyl)tetracene
CID 162426532
2-(2-fluoro-4-methylphenyl)dibenzothiophene
CID 126592460
9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine
CID 58927078
10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene
CID 88877437
1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
CID 169027138
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene?
The IUPAC name of 2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene (CID 143048698) is 2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene.
What is the SMILES notation for 2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene?
The canonical SMILES for 2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene is Cc1ccc(-c2ccc(-c3c4ccc(-c5ccc(C)cc5F)cc4c(-c4ccccc4)c4c(-c5ccc(-c6ccc(C)cc6F)cc5)c5ccc(-c6ccc(F)cc6F)cc5c(-c5ccccc5)c34)cc2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene?
The InChIKey is OMZDQTUQAIPBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45F5/c1-40-14-28-52(60(71)34-40)43-17-21-47(22-18-43)64-56-31-25-49(54-30-16-42(3)36-62(54)73)37-58(56)66(45-10-6-4-7-11-45)68-65(48-23-19-44(20-24-48)53-29-15-41(2)35-61(53)72)57-32-26-50(55-33-27-51(70)39-63(55)74)38-59(57)67(69(64)68)46-12-8-5-9-13-46/h4-39H,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene?
2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene has a molecular weight of 969.11 g/mol, XLogP of 20.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene is sourced from PubChem (CID 143048698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).