3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

C68H45F9N4 — CID 134296256

IUPAC3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C(F)(F)F)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5ccc(C(F)(F)F)cc5C)cc4c4cc(-c5ccc(C(F)(F)F)cc5C)ccc43)c2-c2ccncc2)c(C)c1
InChIInChI=1S/C68H45F9N4/c1-37-6-14-50(39(3)26-37)44-8-18-61-56(32-44)57-35-47(53-15-7-38(2)27-58(53)68(75,76)77)11-21-62(57)81(61)64-31-42(36-78)30-63(65(64)43-22-24-79-25-23-43)80-59-19-9-45(51-16-12-48(28-40(51)4)66(69,70)71)33-54(59)55-34-46(10-20-60(55)80)52-17-13-49(29-41(52)5)67(72,73)74/h6-35H,1-5H3
InChIKeyVWBIGASDMWGIDJ-UHFFFAOYSA-N
MW1089.12 g/mol
LogP20.08
Rot. Bonds7

About 3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (PubChem CID 134296256) has the molecular formula C68H45F9N4 and a molecular weight of 1089.12 g/mol. Its IUPAC name is 3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
PubChem CID134296256
Molecular FormulaC68H45F9N4
Molecular Weight1089.12 g/mol
Exact Mass1088.35
IUPAC Name3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C(F)(F)F)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5ccc(C(F)(F)F)cc5C)cc4c4cc(-c5ccc(C(F)(F)F)cc5C)ccc43)c2-c2ccncc2)c(C)c1
InChIInChI=1S/C68H45F9N4/c1-37-6-14-50(39(3)26-37)44-8-18-61-56(32-44)57-35-47(53-15-7-38(2)27-58(53)68(75,76)77)11-21-62(57)81(61)64-31-42(36-78)30-63(65(64)43-22-24-79-25-23-43)80-59-19-9-45(51-16-12-48(28-40(51)4)66(69,70)71)33-54(59)55-34-46(10-20-60(55)80)52-17-13-49(29-41(52)5)67(72,73)74/h6-35H,1-5H3
InChIKeyVWBIGASDMWGIDJ-UHFFFAOYSA-N
XLogP20.08
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.12
LogP ≤ 520.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (CID 134296256) is 3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C(F)(F)F)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5ccc(C(F)(F)F)cc5C)cc4c4cc(-c5ccc(C(F)(F)F)cc5C)ccc43)c2-c2ccncc2)c(C)c1.
What is the InChIKey of 3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The InChIKey is VWBIGASDMWGIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45F9N4/c1-37-6-14-50(39(3)26-37)44-8-18-61-56(32-44)57-35-47(53-15-7-38(2)27-58(53)68(75,76)77)11-21-62(57)81(61)64-31-42(36-78)30-63(65(64)43-22-24-79-25-23-43)80-59-19-9-45(51-16-12-48(28-40(51)4)66(69,70)71)33-54(59)55-34-46(10-20-60(55)80)52-17-13-49(29-41(52)5)67(72,73)74/h6-35H,1-5H3.
What are the key properties of 3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile has a molecular weight of 1089.12 g/mol, XLogP of 20.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,6-bis[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134296256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).