5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene

C54H34F2 — CID 58846897

IUPAC5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
SMILESFc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc(F)c5)cc4)c4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c34)cc2)c1
InChIInChI=1S/C54H34F2/c55-43-19-11-17-41(33-43)35-25-29-39(30-26-35)51-47-23-9-10-24-48(47)52(40-31-27-36(28-32-40)42-18-12-20-44(56)34-42)54-50(38-15-5-2-6-16-38)46-22-8-7-21-45(46)49(53(51)54)37-13-3-1-4-14-37/h1-34H
InChIKeyHAFMMUNXZWPRGL-UHFFFAOYSA-N
MW720.86 g/mol
LogP15.43
Rot. Bonds6

About 5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene

5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene (PubChem CID 58846897) has the molecular formula C54H34F2 and a molecular weight of 720.86 g/mol. Its IUPAC name is 5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene.

Molecular Properties

Compound Name5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
PubChem CID58846897
Molecular FormulaC54H34F2
Molecular Weight720.86 g/mol
Exact Mass720.26
IUPAC Name5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
SMILESFc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc(F)c5)cc4)c4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c34)cc2)c1
InChIInChI=1S/C54H34F2/c55-43-19-11-17-41(33-43)35-25-29-39(30-26-35)51-47-23-9-10-24-48(47)52(40-31-27-36(28-32-40)42-18-12-20-44(56)34-42)54-50(38-15-5-2-6-16-38)46-22-8-7-21-45(46)49(53(51)54)37-13-3-1-4-14-37/h1-34H
InChIKeyHAFMMUNXZWPRGL-UHFFFAOYSA-N
XLogP15.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.86
LogP ≤ 515.43
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

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
9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene
CID 102497816
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene
CID 21043375
5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene
CID 58846893
5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 58160942
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
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane
CID 176748689

Frequently Asked Questions

What is the IUPAC name of 5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene?
The IUPAC name of 5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene (CID 58846897) is 5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene.
What is the SMILES notation for 5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene?
The canonical SMILES for 5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene is Fc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc(F)c5)cc4)c4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c34)cc2)c1.
What is the InChIKey of 5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene?
The InChIKey is HAFMMUNXZWPRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34F2/c55-43-19-11-17-41(33-43)35-25-29-39(30-26-35)51-47-23-9-10-24-48(47)52(40-31-27-36(28-32-40)42-18-12-20-44(56)34-42)54-50(38-15-5-2-6-16-38)46-22-8-7-21-45(46)49(53(51)54)37-13-3-1-4-14-37/h1-34H.
What are the key properties of 5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene?
5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene has a molecular weight of 720.86 g/mol, XLogP of 15.43, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene is sourced from PubChem (CID 58846897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).