2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline

C39H23F2N — CID 58323802

IUPAC2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3)c3cc(-c4ccc5ccc6ccccc6c5n4)ccc23)cc1
InChIInChI=1S/C39H23F2N/c40-29-17-11-25(12-18-29)37-32-7-3-4-8-33(32)38(26-13-19-30(41)20-14-26)35-23-28(15-21-34(35)37)36-22-16-27-10-9-24-5-1-2-6-31(24)39(27)42-36/h1-23H
InChIKeyDSKCUBHDMFYCMY-UHFFFAOYSA-N
MW543.62 g/mol
LogP10.97
Rot. Bonds3

About 2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline

2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline (PubChem CID 58323802) has the molecular formula C39H23F2N and a molecular weight of 543.62 g/mol. Its IUPAC name is 2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline.

Molecular Properties

Compound Name2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline
PubChem CID58323802
Molecular FormulaC39H23F2N
Molecular Weight543.62 g/mol
Exact Mass543.18
IUPAC Name2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3)c3cc(-c4ccc5ccc6ccccc6c5n4)ccc23)cc1
InChIInChI=1S/C39H23F2N/c40-29-17-11-25(12-18-29)37-32-7-3-4-8-33(32)38(26-13-19-30(41)20-14-26)35-23-28(15-21-34(35)37)36-22-16-27-10-9-24-5-1-2-6-31(24)39(27)42-36/h1-23H
InChIKeyDSKCUBHDMFYCMY-UHFFFAOYSA-N
XLogP10.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.62
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
CID 10741400
2-(10-phenylanthracen-9-yl)benzo[h]quinoline
CID 59629573
11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline
CID 139407490
2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 134596708
iridium;2-phenylbenzo[h]quinoline
CID 175438986
CID 89063916
CID 89063916
9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline
CID 59010374
2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline
CID 170166669
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
CID 129265511
2-[1-(4-fluorophenyl)naphthalen-2-yl]triphenylene
CID 142593010
2-fluoro-7-[10-(4-fluorophenyl)anthracen-9-yl]pyrene
CID 167155318
2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline
CID 155022869

Frequently Asked Questions

What is the IUPAC name of 2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline?
The IUPAC name of 2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline (CID 58323802) is 2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline.
What is the SMILES notation for 2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline?
The canonical SMILES for 2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline is Fc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3)c3cc(-c4ccc5ccc6ccccc6c5n4)ccc23)cc1.
What is the InChIKey of 2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline?
The InChIKey is DSKCUBHDMFYCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23F2N/c40-29-17-11-25(12-18-29)37-32-7-3-4-8-33(32)38(26-13-19-30(41)20-14-26)35-23-28(15-21-34(35)37)36-22-16-27-10-9-24-5-1-2-6-31(24)39(27)42-36/h1-23H.
What are the key properties of 2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline?
2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline has a molecular weight of 543.62 g/mol, XLogP of 10.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline is sourced from PubChem (CID 58323802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).