2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole

C84H60F9N5 — CID 157485515

IUPAC2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole
SMILESCc1cccc2c1c1c(C)cccc1n2-c1cc(-c2ccccc2C(F)(F)F)cc(C#N)c1-n1c2cccc(C)c2c2c(C)cccc21.Cc1cccc2c1c1c(C)cccc1n2-c1cc(-c2ccccc2C(F)(F)F)cc(C(F)(F)F)c1-n1c2cccc(C)c2c2c(C)cccc21
InChIInChI=1S/C42H30F6N2.C42H30F3N3/c1-23-11-7-17-31-36(23)37-24(2)12-8-18-32(37)49(31)35-22-27(28-15-5-6-16-29(28)41(43,44)45)21-30(42(46,47)48)40(35)50-33-19-9-13-25(3)38(33)39-26(4)14-10-20-34(39)50;1-24-11-7-17-32-37(24)38-25(2)12-8-18-33(38)47(32)36-22-28(30-15-5-6-16-31(30)42(43,44)45)21-29(23-46)41(36)48-34-19-9-13-26(3)39(34)40-27(4)14-10-20-35(40)48/h5-22H,1-4H3;5-22H,1-4H3
InChIKeyBWQZMWYSDZETKU-UHFFFAOYSA-N
MW1310.42 g/mol
LogP24.49
Rot. Bonds6

About 2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole

2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole (PubChem CID 157485515) has the molecular formula C84H60F9N5 and a molecular weight of 1310.42 g/mol. Its IUPAC name is 2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole.

Molecular Properties

Compound Name2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole
PubChem CID157485515
Molecular FormulaC84H60F9N5
Molecular Weight1310.42 g/mol
Exact Mass1309.47
IUPAC Name2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole
SMILESCc1cccc2c1c1c(C)cccc1n2-c1cc(-c2ccccc2C(F)(F)F)cc(C#N)c1-n1c2cccc(C)c2c2c(C)cccc21.Cc1cccc2c1c1c(C)cccc1n2-c1cc(-c2ccccc2C(F)(F)F)cc(C(F)(F)F)c1-n1c2cccc(C)c2c2c(C)cccc21
InChIInChI=1S/C42H30F6N2.C42H30F3N3/c1-23-11-7-17-31-36(23)37-24(2)12-8-18-32(37)49(31)35-22-27(28-15-5-6-16-29(28)41(43,44)45)21-30(42(46,47)48)40(35)50-33-19-9-13-25(3)38(33)39-26(4)14-10-20-34(39)50;1-24-11-7-17-32-37(24)38-25(2)12-8-18-33(38)47(32)36-22-28(30-15-5-6-16-31(30)42(43,44)45)21-29(23-46)41(36)48-34-19-9-13-26(3)39(34)40-27(4)14-10-20-35(40)48/h5-22H,1-4H3;5-22H,1-4H3
InChIKeyBWQZMWYSDZETKU-UHFFFAOYSA-N
XLogP24.49
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001310.42
LogP ≤ 524.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole with MolForge

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Related Compounds

3-[4,5-bis(4,5-dimethylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile
CID 160844711
2,5-bis(4,5-dimethylcarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-(4,5-dimethylcarbazol-9-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]-4,5-dimethylcarbazole
CID 158434242
2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386425
2,6-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386832
2,5-bis(1,8-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(1,8-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-1,8-dimethylcarbazole
CID 159209598
2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(4-methylcarbazol-9-yl)benzonitrile
CID 159191163
2,6-bis(3-tert-butylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386438
2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386835
2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386767
2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 161455760
2,6-bis(2,7-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole
CID 159646569
4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile
CID 138749756

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole?
The IUPAC name of 2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole (CID 157485515) is 2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole.
What is the SMILES notation for 2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole?
The canonical SMILES for 2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole is Cc1cccc2c1c1c(C)cccc1n2-c1cc(-c2ccccc2C(F)(F)F)cc(C#N)c1-n1c2cccc(C)c2c2c(C)cccc21.Cc1cccc2c1c1c(C)cccc1n2-c1cc(-c2ccccc2C(F)(F)F)cc(C(F)(F)F)c1-n1c2cccc(C)c2c2c(C)cccc21.
What is the InChIKey of 2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole?
The InChIKey is BWQZMWYSDZETKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30F6N2.C42H30F3N3/c1-23-11-7-17-31-36(23)37-24(2)12-8-18-32(37)49(31)35-22-27(28-15-5-6-16-29(28)41(43,44)45)21-30(42(46,47)48)40(35)50-33-19-9-13-25(3)38(33)39-26(4)14-10-20-34(39)50;1-24-11-7-17-32-37(24)38-25(2)12-8-18-33(38)47(32)36-22-28(30-15-5-6-16-31(30)42(43,44)45)21-29(23-46)41(36)48-34-19-9-13-26(3)39(34)40-27(4)14-10-20-35(40)48/h5-22H,1-4H3;5-22H,1-4H3.
What are the key properties of 2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole?
2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole has a molecular weight of 1310.42 g/mol, XLogP of 24.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4,5-dimethylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]benzonitrile;9-[2-(4,5-dimethylcarbazol-9-yl)-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-4,5-dimethylcarbazole is sourced from PubChem (CID 157485515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).