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

C53H29F5N10 — CID 142489514

IUPAC9-[2-(3,5-difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole
SMILESFc1cc(F)cc(-c2cc(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c(C(F)(F)F)cc2-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncccn4)cc32)c1
InChIInChI=1S/C53H29F5N10/c54-35-21-34(22-36(55)27-35)41-28-48(68-45-25-32(51-63-17-3-18-64-51)7-11-39(45)40-12-8-33(26-46(40)68)52-65-19-4-20-66-52)42(53(56,57)58)29-47(41)67-43-23-30(49-59-13-1-14-60-49)5-9-37(43)38-10-6-31(24-44(38)67)50-61-15-2-16-62-50/h1-29H
InChIKeyVSORETDQZGDUOA-UHFFFAOYSA-N
MW900.88 g/mol
LogP12.67
Rot. Bonds7

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

9-[2-(3,5-difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole (PubChem CID 142489514) has the molecular formula C53H29F5N10 and a molecular weight of 900.88 g/mol. Its IUPAC name is 9-[2-(3,5-difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole.

Molecular Properties

Compound Name9-[2-(3,5-difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole
PubChem CID142489514
Molecular FormulaC53H29F5N10
Molecular Weight900.88 g/mol
Exact Mass900.25
IUPAC Name9-[2-(3,5-difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole
SMILESFc1cc(F)cc(-c2cc(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c(C(F)(F)F)cc2-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncccn4)cc32)c1
InChIInChI=1S/C53H29F5N10/c54-35-21-34(22-36(55)27-35)41-28-48(68-45-25-32(51-63-17-3-18-64-51)7-11-39(45)40-12-8-33(26-46(40)68)52-65-19-4-20-66-52)42(53(56,57)58)29-47(41)67-43-23-30(49-59-13-1-14-60-49)5-9-37(43)38-10-6-31(24-44(38)67)50-61-15-2-16-62-50/h1-29H
InChIKeyVSORETDQZGDUOA-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-[2-(3,5-difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(3,5-difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole?
The IUPAC name of 9-[2-(3,5-difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole (CID 142489514) is 9-[2-(3,5-difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole.
What is the SMILES notation for 9-[2-(3,5-difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole?
The canonical SMILES for 9-[2-(3,5-difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole is Fc1cc(F)cc(-c2cc(-n3c4cc(-c5ncccn5)ccc4c4ccc(-c5ncccn5)cc43)c(C(F)(F)F)cc2-n2c3cc(-c4ncccn4)ccc3c3ccc(-c4ncccn4)cc32)c1.
What is the InChIKey of 9-[2-(3,5-difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole?
The InChIKey is VSORETDQZGDUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H29F5N10/c54-35-21-34(22-36(55)27-35)41-28-48(68-45-25-32(51-63-17-3-18-64-51)7-11-39(45)40-12-8-33(26-46(40)68)52-65-19-4-20-66-52)42(53(56,57)58)29-47(41)67-43-23-30(49-59-13-1-14-60-49)5-9-37(43)38-10-6-31(24-44(38)67)50-61-15-2-16-62-50/h1-29H.
What are the key properties of 9-[2-(3,5-difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole?
9-[2-(3,5-difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-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-[2-(3,5-difluorophenyl)-4-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2,7-di(pyrimidin-2-yl)carbazole is sourced from PubChem (CID 142489514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).