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

C53H29F5N10 — CID 148709350

IUPAC9-[4-(3,5-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole
SMILESFc1cc(F)cc(-c2ccc(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c(C(F)(F)F)c2-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c1
InChIInChI=1S/C53H29F5N10/c54-35-23-34(24-36(55)29-35)37-9-14-46(67-42-10-5-30(49-59-15-1-16-60-49)25-38(42)39-26-31(6-11-43(39)67)50-61-17-2-18-62-50)47(53(56,57)58)48(37)68-44-12-7-32(51-63-19-3-20-64-51)27-40(44)41-28-33(8-13-45(41)68)52-65-21-4-22-66-52/h1-29H
InChIKeyNWXPWBUDIGLACP-UHFFFAOYSA-N
MW900.88 g/mol
LogP12.67
Rot. Bonds7

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

9-[4-(3,5-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole (PubChem CID 148709350) has the molecular formula C53H29F5N10 and a molecular weight of 900.88 g/mol. Its IUPAC name is 9-[4-(3,5-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole.

Molecular Properties

Compound Name9-[4-(3,5-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole
PubChem CID148709350
Molecular FormulaC53H29F5N10
Molecular Weight900.88 g/mol
Exact Mass900.25
IUPAC Name9-[4-(3,5-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole
SMILESFc1cc(F)cc(-c2ccc(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c(C(F)(F)F)c2-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c1
InChIInChI=1S/C53H29F5N10/c54-35-23-34(24-36(55)29-35)37-9-14-46(67-42-10-5-30(49-59-15-1-16-60-49)25-38(42)39-26-31(6-11-43(39)67)50-61-17-2-18-62-50)47(53(56,57)58)48(37)68-44-12-7-32(51-63-19-3-20-64-51)27-40(44)41-28-33(8-13-45(41)68)52-65-21-4-22-66-52/h1-29H
InChIKeyNWXPWBUDIGLACP-UHFFFAOYSA-N
XLogP12.67
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.88
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[4-(3,5-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-(3,5-difluorophenyl)-2-methyl-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole
CID 159302244
3-tert-butyl-9-[3-(3-tert-butylcarbazol-9-yl)-4-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]carbazole
CID 142489616
9-[4-(2,6-difluorophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 147018720
4-(3,5-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 148646626
9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole
CID 154960852
3-(2,6-difluorophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 154959875
9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 162571789
2-[9-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 154960288
5-[9-[4-(3-cyanophenyl)-3-[3-(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 142465726
9-[3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 169059962
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 137386760
9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 138565238

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,5-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole?
The IUPAC name of 9-[4-(3,5-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole (CID 148709350) is 9-[4-(3,5-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole.
What is the SMILES notation for 9-[4-(3,5-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole?
The canonical SMILES for 9-[4-(3,5-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole is Fc1cc(F)cc(-c2ccc(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c(C(F)(F)F)c2-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c1.
What is the InChIKey of 9-[4-(3,5-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole?
The InChIKey is NWXPWBUDIGLACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H29F5N10/c54-35-23-34(24-36(55)29-35)37-9-14-46(67-42-10-5-30(49-59-15-1-16-60-49)25-38(42)39-26-31(6-11-43(39)67)50-61-17-2-18-62-50)47(53(56,57)58)48(37)68-44-12-7-32(51-63-19-3-20-64-51)27-40(44)41-28-33(8-13-45(41)68)52-65-21-4-22-66-52/h1-29H.
What are the key properties of 9-[4-(3,5-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole?
9-[4-(3,5-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole has a molecular weight of 900.88 g/mol, XLogP of 12.67, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,5-difluorophenyl)-3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3,6-di(pyrimidin-2-yl)carbazole is sourced from PubChem (CID 148709350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).