9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole

C33H21F5N2 — CID 162596636

IUPAC9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole
SMILESCCc1c(-n2c3ccccc3c3ccccc32)c(F)c(F)c(C(F)(F)F)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C33H21F5N2/c1-2-19-31(39-24-15-7-3-11-20(24)21-12-4-8-16-25(21)39)28(33(36,37)38)29(34)30(35)32(19)40-26-17-9-5-13-22(26)23-14-6-10-18-27(23)40/h3-18H,2H2,1H3
InChIKeyGISKCRDRKPDGEA-UHFFFAOYSA-N
MW540.54 g/mol
LogP9.74
Rot. Bonds3

About 9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole

9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole (PubChem CID 162596636) has the molecular formula C33H21F5N2 and a molecular weight of 540.54 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole
PubChem CID162596636
Molecular FormulaC33H21F5N2
Molecular Weight540.54 g/mol
Exact Mass540.16
IUPAC Name9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole
SMILESCCc1c(-n2c3ccccc3c3ccccc32)c(F)c(F)c(C(F)(F)F)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C33H21F5N2/c1-2-19-31(39-24-15-7-3-11-20(24)21-12-4-8-16-25(21)39)28(33(36,37)38)29(34)30(35)32(19)40-26-17-9-5-13-22(26)23-14-6-10-18-27(23)40/h3-18H,2H2,1H3
InChIKeyGISKCRDRKPDGEA-UHFFFAOYSA-N
XLogP9.74
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.54
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-[2,3-difluoro-5-(5-methylindolo[3,2-b]carbazol-11-yl)-4,6-bis(trifluoromethyl)phenyl]-5-methylindolo[3,2-b]carbazole
CID 134169813
9-[5-carbazol-9-yl-3-[3,5-di(carbazol-9-yl)-2,6-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)phenyl]carbazole
CID 170221633
9-(10-carbazol-9-yl-2,3-diethylanthracen-9-yl)carbazole
CID 143467653
9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 135130807
3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline
CID 167292102
2,3,5-tri(carbazol-9-yl)-4-(trifluoromethyl)benzonitrile
CID 169287478
9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole
CID 147406745
2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 139302869
9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole
CID 102414026
3,6-diphenyl-9-[2,4,5-tris(3,6-diphenylcarbazol-9-yl)-3,6-bis(trifluoromethyl)phenyl]carbazole
CID 118615020
9-[2-(2,3,4,5,6-pentafluorophenyl)-4,6-bis(trifluoromethyl)phenyl]carbazole
CID 118920530
2-[2,4-di(carbazol-9-yl)-5-(2-cyanophenyl)-3-(trifluoromethyl)phenyl]benzonitrile
CID 139553755

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole (CID 162596636) is 9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole is CCc1c(-n2c3ccccc3c3ccccc32)c(F)c(F)c(C(F)(F)F)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole?
The InChIKey is GISKCRDRKPDGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21F5N2/c1-2-19-31(39-24-15-7-3-11-20(24)21-12-4-8-16-25(21)39)28(33(36,37)38)29(34)30(35)32(19)40-26-17-9-5-13-22(26)23-14-6-10-18-27(23)40/h3-18H,2H2,1H3.
What are the key properties of 9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole?
9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole has a molecular weight of 540.54 g/mol, XLogP of 9.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-2-ethyl-4,5-difluoro-6-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 162596636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).