9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole

C31H12ClF12N5 — CID 167454748

IUPAC9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c3ccc(C(F)(F)F)cc3n(-c3nc(Cl)nc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)n3)c2c1
InChIInChI=1S/C31H12ClF12N5/c32-25-45-26(48-21-9-13(28(33,34)35)1-5-17(21)18-6-2-14(10-22(18)48)29(36,37)38)47-27(46-25)49-23-11-15(30(39,40)41)3-7-19(23)20-8-4-16(12-24(20)49)31(42,43)44/h1-12H
InChIKeyPFDCAZPJWHZSHM-UHFFFAOYSA-N
MW717.90 g/mol
LogP10.79
Rot. Bonds2

About 9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole

9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole (PubChem CID 167454748) has the molecular formula C31H12ClF12N5 and a molecular weight of 717.90 g/mol. Its IUPAC name is 9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole
PubChem CID167454748
Molecular FormulaC31H12ClF12N5
Molecular Weight717.90 g/mol
Exact Mass717.06
IUPAC Name9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c3ccc(C(F)(F)F)cc3n(-c3nc(Cl)nc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)n3)c2c1
InChIInChI=1S/C31H12ClF12N5/c32-25-45-26(48-21-9-13(28(33,34)35)1-5-17(21)18-6-2-14(10-22(18)48)29(36,37)38)47-27(46-25)49-23-11-15(30(39,40)41)3-7-19(23)20-8-4-16(12-24(20)49)31(42,43)44/h1-12H
InChIKeyPFDCAZPJWHZSHM-UHFFFAOYSA-N
XLogP10.79
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.90
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-bis(trifluoromethyl)carbazol-9-amine
CID 139575648
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole
CID 146393939
9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole
CID 138749634
9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole
CID 162611788
2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
CID 156865270
3,10-bis(trifluoromethyl)picene
CID 88902241
9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole
CID 90277489
1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-(trifluoromethyl)benzimidazole
CID 824435
2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486549
2,11-bis(trifluoromethyl)picene
CID 88902337
1-chloro-6-(trifluoromethyl)phthalazine
CID 172570708

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole (CID 167454748) is 9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c3ccc(C(F)(F)F)cc3n(-c3nc(Cl)nc(-n4c5cc(C(F)(F)F)ccc5c5ccc(C(F)(F)F)cc54)n3)c2c1.
What is the InChIKey of 9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole?
The InChIKey is PFDCAZPJWHZSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H12ClF12N5/c32-25-45-26(48-21-9-13(28(33,34)35)1-5-17(21)18-6-2-14(10-22(18)48)29(36,37)38)47-27(46-25)49-23-11-15(30(39,40)41)3-7-19(23)20-8-4-16(12-24(20)49)31(42,43)44/h1-12H.
What are the key properties of 9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole?
9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole has a molecular weight of 717.90 g/mol, XLogP of 10.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 167454748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).