9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole

C54H30F6N10 — CID 142502058

IUPAC9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)cc2C(F)(F)F)c1
InChIInChI=1S/C54H30F6N10/c55-53(56,57)36-7-1-6-31(24-36)41-29-47(69-43-25-32(49-61-16-2-17-62-49)8-12-37(43)38-13-9-33(26-44(38)69)50-63-18-3-19-64-50)48(30-42(41)54(58,59)60)70-45-27-34(51-65-20-4-21-66-51)10-14-39(45)40-15-11-35(28-46(40)70)52-67-22-5-23-68-52/h1-30H
InChIKeyIAVIESMOOUBAKA-UHFFFAOYSA-N
MW932.89 g/mol
LogP13.41
Rot. Bonds7

About 9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole

9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole (PubChem CID 142502058) has the molecular formula C54H30F6N10 and a molecular weight of 932.89 g/mol. Its IUPAC name is 9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole.

Molecular Properties

Compound Name9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole
PubChem CID142502058
Molecular FormulaC54H30F6N10
Molecular Weight932.89 g/mol
Exact Mass932.26
IUPAC Name9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)cc2C(F)(F)F)c1
InChIInChI=1S/C54H30F6N10/c55-53(56,57)36-7-1-6-31(24-36)41-29-47(69-43-25-32(49-61-16-2-17-62-49)8-12-37(43)38-13-9-33(26-44(38)69)50-63-18-3-19-64-50)48(30-42(41)54(58,59)60)70-45-27-34(51-65-20-4-21-66-51)10-14-39(45)40-15-11-35(28-46(40)70)52-67-22-5-23-68-52/h1-30H
InChIKeyIAVIESMOOUBAKA-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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole?
The IUPAC name of 9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole (CID 142502058) is 9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole.
What is the SMILES notation for 9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole?
The canonical SMILES for 9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole is FC(F)(F)c1cccc(-c2cc(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)cc2C(F)(F)F)c1.
What is the InChIKey of 9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole?
The InChIKey is IAVIESMOOUBAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30F6N10/c55-53(56,57)36-7-1-6-31(24-36)41-29-47(69-43-25-32(49-61-16-2-17-62-49)8-12-37(43)38-13-9-33(26-44(38)69)50-63-18-3-19-64-50)48(30-42(41)54(58,59)60)70-45-27-34(51-65-20-4-21-66-51)10-14-39(45)40-15-11-35(28-46(40)70)52-67-22-5-23-68-52/h1-30H.
What are the key properties of 9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole?
9-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-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-[2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-2,7-di(pyrimidin-2-yl)carbazole is sourced from PubChem (CID 142502058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).