5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene

C178H110F14 — CID 158999155

IUPAC5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene
SMILESFC(F)(F)c1cc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)ccc1-c1ccccc1.FC(F)(F)c1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)c4c(-c5ccc(-c6ccccc6)cc5)c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c34)cc2)c1.Fc1cccc(-c2c3ccccc3c(-c3cccc(F)c3)c3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c23)c1
InChIInChI=1S/C68H42F6.C56H34F6.C54H34F2/c69-67(70,71)54-22-14-21-52(41-54)47-31-37-51(38-32-47)62-58-25-12-13-26-59(58)64(53-39-40-55(48-19-8-3-9-20-48)60(42-53)68(72,73)74)66-63(50-35-29-46(30-36-50)44-17-6-2-7-18-44)57-24-11-10-23-56(57)61(65(62)66)49-33-27-45(28-34-49)43-15-4-1-5-16-43;57-55(58,59)47-33-39(29-31-41(47)35-17-5-1-6-18-35)51-45-27-15-16-28-46(45)52(40-30-32-42(36-19-7-2-8-20-36)48(34-40)56(60,61)62)54-50(38-23-11-4-12-24-38)44-26-14-13-25-43(44)49(53(51)54)37-21-9-3-10-22-37;55-43-19-11-17-41(33-43)51-47-23-9-10-24-48(47)52(42-18-12-20-44(56)34-42)54-50(40-31-27-38(28-32-40)36-15-5-2-6-16-36)46-22-8-7-21-45(46)49(53(51)54)39-29-25-37(26-30-39)35-13-3-1-4-14-35/h1-42H;1-34H;1-34H
InChIKeyJRCXURYRZQKCKT-UHFFFAOYSA-N
MW2514.81 g/mol
LogP53.13
Rot. Bonds20

About 5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene

5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene (PubChem CID 158999155) has the molecular formula C178H110F14 and a molecular weight of 2514.81 g/mol. Its IUPAC name is 5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene.

Molecular Properties

Compound Name5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene
PubChem CID158999155
Molecular FormulaC178H110F14
Molecular Weight2514.81 g/mol
Exact Mass2512.84
IUPAC Name5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene
SMILESFC(F)(F)c1cc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)ccc1-c1ccccc1.FC(F)(F)c1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)c4c(-c5ccc(-c6ccccc6)cc5)c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c34)cc2)c1.Fc1cccc(-c2c3ccccc3c(-c3cccc(F)c3)c3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c23)c1
InChIInChI=1S/C68H42F6.C56H34F6.C54H34F2/c69-67(70,71)54-22-14-21-52(41-54)47-31-37-51(38-32-47)62-58-25-12-13-26-59(58)64(53-39-40-55(48-19-8-3-9-20-48)60(42-53)68(72,73)74)66-63(50-35-29-46(30-36-50)44-17-6-2-7-18-44)57-24-11-10-23-56(57)61(65(62)66)49-33-27-45(28-34-49)43-15-4-1-5-16-43;57-55(58,59)47-33-39(29-31-41(47)35-17-5-1-6-18-35)51-45-27-15-16-28-46(45)52(40-30-32-42(36-19-7-2-8-20-36)48(34-40)56(60,61)62)54-50(38-23-11-4-12-24-38)44-26-14-13-25-43(44)49(53(51)54)37-21-9-3-10-22-37;55-43-19-11-17-41(33-43)51-47-23-9-10-24-48(47)52(42-18-12-20-44(56)34-42)54-50(40-31-27-38(28-32-40)36-15-5-2-6-16-36)46-22-8-7-21-45(46)49(53(51)54)39-29-25-37(26-30-39)35-13-3-1-4-14-35/h1-42H;1-34H;1-34H
InChIKeyJRCXURYRZQKCKT-UHFFFAOYSA-N
XLogP53.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms192
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002514.81
LogP ≤ 553.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene with MolForge

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Related Compounds

5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
CID 58846897
6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene
CID 160705810
5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene
CID 58846893
2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene
CID 23542883
2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene;2,8-diphenyl-5,6,11,12-tetrakis(4-phenylphenyl)tetracene
CID 161431983
5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene
CID 21043375
7,25-bis(3-fluorophenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,25-bis(4-fluorophenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,32-bis(3-fluorophenyl)-14,25-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene;7,32-bis(4-fluorophenyl)-14,25-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene
CID 158165747
1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene
CID 46312827
6-cyclohexa-2,4-dien-1-yl-12-phenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene
CID 89278204
1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene
CID 176748618
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 89025408

Frequently Asked Questions

What is the IUPAC name of 5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene?
The IUPAC name of 5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene (CID 158999155) is 5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene.
What is the SMILES notation for 5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene?
The canonical SMILES for 5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene is FC(F)(F)c1cc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)ccc1-c1ccccc1.FC(F)(F)c1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)c4c(-c5ccc(-c6ccccc6)cc5)c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c34)cc2)c1.Fc1cccc(-c2c3ccccc3c(-c3cccc(F)c3)c3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c23)c1.
What is the InChIKey of 5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene?
The InChIKey is JRCXURYRZQKCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42F6.C56H34F6.C54H34F2/c69-67(70,71)54-22-14-21-52(41-54)47-31-37-51(38-32-47)62-58-25-12-13-26-59(58)64(53-39-40-55(48-19-8-3-9-20-48)60(42-53)68(72,73)74)66-63(50-35-29-46(30-36-50)44-17-6-2-7-18-44)57-24-11-10-23-56(57)61(65(62)66)49-33-27-45(28-34-49)43-15-4-1-5-16-43;57-55(58,59)47-33-39(29-31-41(47)35-17-5-1-6-18-35)51-45-27-15-16-28-46(45)52(40-30-32-42(36-19-7-2-8-20-36)48(34-40)56(60,61)62)54-50(38-23-11-4-12-24-38)44-26-14-13-25-43(44)49(53(51)54)37-21-9-3-10-22-37;55-43-19-11-17-41(33-43)51-47-23-9-10-24-48(47)52(42-18-12-20-44(56)34-42)54-50(40-31-27-38(28-32-40)36-15-5-2-6-16-36)46-22-8-7-21-45(46)49(53(51)54)39-29-25-37(26-30-39)35-13-3-1-4-14-35/h1-42H;1-34H;1-34H.
What are the key properties of 5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene?
5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene has a molecular weight of 2514.81 g/mol, XLogP of 53.13, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene is sourced from PubChem (CID 158999155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).