3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole

C51H30F3NS — CID 87156532

IUPAC3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C51H30F3NS/c52-51(53,54)34-25-20-31(21-26-34)48-39-12-1-3-14-41(39)49(42-15-4-2-13-40(42)48)32-22-27-35(28-23-32)55-45-18-7-5-10-37(45)44-30-33(24-29-46(44)55)36-16-9-17-43-38-11-6-8-19-47(38)56-50(36)43/h1-30H
InChIKeyPNDYUSLHJDZZIK-UHFFFAOYSA-N
MW745.87 g/mol
LogP15.48
Rot. Bonds4

About 3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole

3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole (PubChem CID 87156532) has the molecular formula C51H30F3NS and a molecular weight of 745.87 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
PubChem CID87156532
Molecular FormulaC51H30F3NS
Molecular Weight745.87 g/mol
Exact Mass745.21
IUPAC Name3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C51H30F3NS/c52-51(53,54)34-25-20-31(21-26-34)48-39-12-1-3-14-41(39)49(42-15-4-2-13-40(42)48)32-22-27-35(28-23-32)55-45-18-7-5-10-37(45)44-30-33(24-29-46(44)55)36-16-9-17-43-38-11-6-8-19-47(38)56-50(36)43/h1-30H
InChIKeyPNDYUSLHJDZZIK-UHFFFAOYSA-N
XLogP15.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.87
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole (CID 87156532) is 3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole is FC(F)(F)c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole?
The InChIKey is PNDYUSLHJDZZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30F3NS/c52-51(53,54)34-25-20-31(21-26-34)48-39-12-1-3-14-41(39)49(42-15-4-2-13-40(42)48)32-22-27-35(28-23-32)55-45-18-7-5-10-37(45)44-30-33(24-29-46(44)55)36-16-9-17-43-38-11-6-8-19-47(38)56-50(36)43/h1-30H.
What are the key properties of 3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole?
3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole has a molecular weight of 745.87 g/mol, XLogP of 15.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 87156532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).