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

C54H30F6N10 — CID 142501921

IUPAC9-[4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c(C(F)(F)F)cc2-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c1
InChIInChI=1S/C54H30F6N10/c55-53(56,57)36-7-1-6-31(24-36)37-29-48(70-45-14-10-34(51-65-20-4-21-66-51)27-40(45)41-28-35(11-15-46(41)70)52-67-22-5-23-68-52)42(54(58,59)60)30-47(37)69-43-12-8-32(49-61-16-2-17-62-49)25-38(43)39-26-33(9-13-44(39)69)50-63-18-3-19-64-50/h1-30H
InChIKeyCNCMMHWMIZOZAF-UHFFFAOYSA-N
MW932.89 g/mol
LogP13.41
Rot. Bonds7

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

9-[4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole (PubChem CID 142501921) has the molecular formula C54H30F6N10 and a molecular weight of 932.89 g/mol. Its IUPAC name is 9-[4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole.

Molecular Properties

Compound Name9-[4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole
PubChem CID142501921
Molecular FormulaC54H30F6N10
Molecular Weight932.89 g/mol
Exact Mass932.26
IUPAC Name9-[4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c(C(F)(F)F)cc2-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c1
InChIInChI=1S/C54H30F6N10/c55-53(56,57)36-7-1-6-31(24-36)37-29-48(70-45-14-10-34(51-65-20-4-21-66-51)27-40(45)41-28-35(11-15-46(41)70)52-67-22-5-23-68-52)42(54(58,59)60)30-47(37)69-43-12-8-32(49-61-16-2-17-62-49)25-38(43)39-26-33(9-13-44(39)69)50-63-18-3-19-64-50/h1-30H
InChIKeyCNCMMHWMIZOZAF-UHFFFAOYSA-N
XLogP13.41
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.89
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole?
The IUPAC name of 9-[4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole (CID 142501921) is 9-[4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole.
What is the SMILES notation for 9-[4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole?
The canonical SMILES for 9-[4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole is FC(F)(F)c1cccc(-c2cc(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c(C(F)(F)F)cc2-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c1.
What is the InChIKey of 9-[4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole?
The InChIKey is CNCMMHWMIZOZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30F6N10/c55-53(56,57)36-7-1-6-31(24-36)37-29-48(70-45-14-10-34(51-65-20-4-21-66-51)27-40(45)41-28-35(11-15-46(41)70)52-67-22-5-23-68-52)42(54(58,59)60)30-47(37)69-43-12-8-32(49-61-16-2-17-62-49)25-38(43)39-26-33(9-13-44(39)69)50-63-18-3-19-64-50/h1-30H.
What are the key properties of 9-[4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole?
9-[4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole has a molecular weight of 932.89 g/mol, XLogP of 13.41, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole is sourced from PubChem (CID 142501921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).