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

C39H24F3N — CID 58163316

IUPAC9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
SMILESFC(F)(F)c1cccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)c1
InChIInChI=1S/C39H24F3N/c40-39(41,42)27-11-9-10-26(24-27)38-33-16-3-1-14-31(33)37(32-15-2-4-17-34(32)38)25-20-22-28(23-21-25)43-35-18-7-5-12-29(35)30-13-6-8-19-36(30)43/h1-24H
InChIKeyVTGSGIIANVMRJK-UHFFFAOYSA-N
MW563.62 g/mol
LogP11.44
Rot. Bonds3

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

9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole (PubChem CID 58163316) has the molecular formula C39H24F3N and a molecular weight of 563.62 g/mol. Its IUPAC name is 9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
PubChem CID58163316
Molecular FormulaC39H24F3N
Molecular Weight563.62 g/mol
Exact Mass563.19
IUPAC Name9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
SMILESFC(F)(F)c1cccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)c1
InChIInChI=1S/C39H24F3N/c40-39(41,42)27-11-9-10-26(24-27)38-33-16-3-1-14-31(33)37(32-15-2-4-17-34(32)38)25-20-22-28(23-21-25)43-35-18-7-5-12-29(35)30-13-6-8-19-36(30)43/h1-24H
InChIKeyVTGSGIIANVMRJK-UHFFFAOYSA-N
XLogP11.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.62
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[3-(trifluoromethyl)phenyl]anthracen-2-amine
CID 59211087
3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167107992
3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167107982
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 88567746
3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline
CID 88567791
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 159418617
9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158633984
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 162257704
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 58991757
9-[4-[10-(2,6-difluorophenyl)anthracen-9-yl]phenyl]carbazole
CID 58163314

Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole (CID 58163316) is 9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole is FC(F)(F)c1cccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)c1.
What is the InChIKey of 9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole?
The InChIKey is VTGSGIIANVMRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F3N/c40-39(41,42)27-11-9-10-26(24-27)38-33-16-3-1-14-31(33)37(32-15-2-4-17-34(32)38)25-20-22-28(23-21-25)43-35-18-7-5-12-29(35)30-13-6-8-19-36(30)43/h1-24H.
What are the key properties of 9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole?
9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole has a molecular weight of 563.62 g/mol, XLogP of 11.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 58163316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).