9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole

C52H32F4N2 — CID 164577679

IUPAC9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole
SMILESFc1cc(C=Cc2ccc(-c3ccc(C=Cc4cc(F)c(-n5c6ccccc6c6ccccc65)c(F)c4)cc3)cc2)cc(F)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C52H32F4N2/c53-43-29-35(30-44(54)51(43)57-47-13-5-1-9-39(47)40-10-2-6-14-48(40)57)19-17-33-21-25-37(26-22-33)38-27-23-34(24-28-38)18-20-36-31-45(55)52(46(56)32-36)58-49-15-7-3-11-41(49)42-12-4-8-16-50(42)58/h1-32H
InChIKeyMCUDHZVHBBIKEK-UHFFFAOYSA-N
MW760.83 g/mol
LogP14.44
Rot. Bonds7

About 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole

9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole (PubChem CID 164577679) has the molecular formula C52H32F4N2 and a molecular weight of 760.83 g/mol. Its IUPAC name is 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole
PubChem CID164577679
Molecular FormulaC52H32F4N2
Molecular Weight760.83 g/mol
Exact Mass760.25
IUPAC Name9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole
SMILESFc1cc(C=Cc2ccc(-c3ccc(C=Cc4cc(F)c(-n5c6ccccc6c6ccccc65)c(F)c4)cc3)cc2)cc(F)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C52H32F4N2/c53-43-29-35(30-44(54)51(43)57-47-13-5-1-9-39(47)40-10-2-6-14-48(40)57)19-17-33-21-25-37(26-22-33)38-27-23-34(24-28-38)18-20-36-31-45(55)52(46(56)32-36)58-49-15-7-3-11-41(49)42-12-4-8-16-50(42)58/h1-32H
InChIKeyMCUDHZVHBBIKEK-UHFFFAOYSA-N
XLogP14.44
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.83
LogP ≤ 514.44
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-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole
CID 164577680
9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole
CID 59383702
3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole
CID 59383733
9-[(E)-2-[4-[3,5-bis[4-[(E)-2-carbazol-9-ylethenyl]phenyl]phenyl]phenyl]ethenyl]carbazole
CID 138491975
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
N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine
CID 76557074
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 59629480
10-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]acridin-9-one
CID 91612597
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole?
The IUPAC name of 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole (CID 164577679) is 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole.
What is the SMILES notation for 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole?
The canonical SMILES for 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole is Fc1cc(C=Cc2ccc(-c3ccc(C=Cc4cc(F)c(-n5c6ccccc6c6ccccc65)c(F)c4)cc3)cc2)cc(F)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole?
The InChIKey is MCUDHZVHBBIKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32F4N2/c53-43-29-35(30-44(54)51(43)57-47-13-5-1-9-39(47)40-10-2-6-14-48(40)57)19-17-33-21-25-37(26-22-33)38-27-23-34(24-28-38)18-20-36-31-45(55)52(46(56)32-36)58-49-15-7-3-11-41(49)42-12-4-8-16-50(42)58/h1-32H.
What are the key properties of 9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole?
9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole has a molecular weight of 760.83 g/mol, XLogP of 14.44, 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-3,5-difluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2,6-difluorophenyl]carbazole is sourced from PubChem (CID 164577679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).