9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene

C40H24F2 — CID 102497816

IUPAC9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene
SMILESFc1cccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4cccc(F)c4)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C40H24F2/c41-27-13-9-11-25(23-27)37-29-15-1-5-19-33(29)39(34-20-6-2-16-30(34)37)40-35-21-7-3-17-31(35)38(26-12-10-14-28(42)24-26)32-18-4-8-22-36(32)40/h1-24H
InChIKeyZTOGOFFYSZKBAY-UHFFFAOYSA-N
MW542.63 g/mol
LogP11.58
Rot. Bonds3

About 9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene

9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene (PubChem CID 102497816) has the molecular formula C40H24F2 and a molecular weight of 542.63 g/mol. Its IUPAC name is 9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene.

Molecular Properties

Compound Name9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene
PubChem CID102497816
Molecular FormulaC40H24F2
Molecular Weight542.63 g/mol
Exact Mass542.18
IUPAC Name9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene
SMILESFc1cccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4cccc(F)c4)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C40H24F2/c41-27-13-9-11-25(23-27)37-29-15-1-5-19-33(29)39(34-20-6-2-16-30(34)37)40-35-21-7-3-17-31(35)38(26-12-10-14-28(42)24-26)32-18-4-8-22-36(32)40/h1-24H
InChIKeyZTOGOFFYSZKBAY-UHFFFAOYSA-N
XLogP11.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.63
LogP ≤ 511.58
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[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
CID 58846897
3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 121401505
9-(9,9-dimethylfluoren-2-yl)-10-(3-fluorophenyl)anthracene
CID 20822374
1-fluoro-2-[3-fluoro-2-(3-fluorophenyl)phenyl]-3-(2-fluorophenyl)benzene
CID 91189617
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-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene
CID 88877574
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
1-fluoro-3-(3-fluorophenyl)naphthalene
CID 46313976

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene?
The IUPAC name of 9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene (CID 102497816) is 9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene.
What is the SMILES notation for 9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene?
The canonical SMILES for 9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene is Fc1cccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4cccc(F)c4)c4ccccc34)c3ccccc23)c1.
What is the InChIKey of 9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene?
The InChIKey is ZTOGOFFYSZKBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24F2/c41-27-13-9-11-25(23-27)37-29-15-1-5-19-33(29)39(34-20-6-2-16-30(34)37)40-35-21-7-3-17-31(35)38(26-12-10-14-28(42)24-26)32-18-4-8-22-36(32)40/h1-24H.
What are the key properties of 9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene?
9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene has a molecular weight of 542.63 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene is sourced from PubChem (CID 102497816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).