9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole

C52H34F2N2 — CID 164577680

IUPAC9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole
SMILESFc1cc(C=Cc2ccc(-c3ccc(C=Cc4ccc(-n5c6ccccc6c6ccccc65)c(F)c4)cc3)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C52H34F2N2/c53-45-33-37(25-31-51(45)55-47-13-5-1-9-41(47)42-10-2-6-14-48(42)55)19-17-35-21-27-39(28-22-35)40-29-23-36(24-30-40)18-20-38-26-32-52(46(54)34-38)56-49-15-7-3-11-43(49)44-12-4-8-16-50(44)56/h1-34H
InChIKeyFDZIFNMYTOMCFJ-UHFFFAOYSA-N
MW724.85 g/mol
LogP14.17
Rot. Bonds7

About 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole

9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole (PubChem CID 164577680) has the molecular formula C52H34F2N2 and a molecular weight of 724.85 g/mol. Its IUPAC name is 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole
PubChem CID164577680
Molecular FormulaC52H34F2N2
Molecular Weight724.85 g/mol
Exact Mass724.27
IUPAC Name9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole
SMILESFc1cc(C=Cc2ccc(-c3ccc(C=Cc4ccc(-n5c6ccccc6c6ccccc65)c(F)c4)cc3)cc2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C52H34F2N2/c53-45-33-37(25-31-51(45)55-47-13-5-1-9-41(47)42-10-2-6-14-48(42)55)19-17-35-21-27-39(28-22-35)40-29-23-36(24-30-40)18-20-38-26-32-52(46(54)34-38)56-49-15-7-3-11-43(49)44-12-4-8-16-50(44)56/h1-34H
InChIKeyFDZIFNMYTOMCFJ-UHFFFAOYSA-N
XLogP14.17
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.85
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole
CID 164577679
9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole
CID 59383702
9-(2,4-difluorophenyl)-N-[4-[4-[N-[9-(2,4-difluorophenyl)carbazol-3-yl]-4-(2-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(2-fluorophenyl)phenyl]carbazol-3-amine
CID 59844902
9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
CID 59236693
3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole
CID 59383733
9-(5-carbazol-9-yl-2,4-difluorophenyl)-3-[9-(5-carbazol-9-yl-2,4-difluorophenyl)carbazol-4-yl]carbazole
CID 140923110
9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole
CID 138491975
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole
CID 118027278
3-[4-[(E)-2-[4-(3-carbazol-9-ylphenyl)phenyl]ethenyl]phenyl]-9-(4-methylphenyl)carbazole
CID 59383633
9-(2-methyl-4-phenylphenyl)carbazole
CID 143868574
9-[2-[4-(4-chlorophenyl)phenyl]phenyl]carbazole
CID 142416174

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole?
The IUPAC name of 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole (CID 164577680) is 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole.
What is the SMILES notation for 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole?
The canonical SMILES for 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole is Fc1cc(C=Cc2ccc(-c3ccc(C=Cc4ccc(-n5c6ccccc6c6ccccc65)c(F)c4)cc3)cc2)ccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole?
The InChIKey is FDZIFNMYTOMCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34F2N2/c53-45-33-37(25-31-51(45)55-47-13-5-1-9-41(47)42-10-2-6-14-48(42)55)19-17-35-21-27-39(28-22-35)40-29-23-36(24-30-40)18-20-38-26-32-52(46(54)34-38)56-49-15-7-3-11-43(49)44-12-4-8-16-50(44)56/h1-34H.
What are the key properties of 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole?
9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole has a molecular weight of 724.85 g/mol, XLogP of 14.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole is sourced from PubChem (CID 164577680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).