4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile

C73H49F6N3 — CID 138498871

IUPAC4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(C#N)c(-c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3-n3c4ccc(-c5cccc(C)c5)cc4c4cc(-c5cccc(C)c5)ccc43)c2)c1
InChIInChI=1S/C73H49F6N3/c1-43-9-5-13-47(31-43)51-18-26-67-62(35-51)63-36-52(48-14-6-10-44(2)32-48)19-27-68(63)81(67)58-24-17-56(42-80)60(41-58)61-39-55(59-25-23-57(72(74,75)76)40-66(59)73(77,78)79)22-30-69(61)82-70-28-20-53(49-15-7-11-45(3)33-49)37-64(70)65-38-54(21-29-71(65)82)50-16-8-12-46(4)34-50/h5-41H,1-4H3
InChIKeyWMKPZZGDXWVGFR-UHFFFAOYSA-N
MW1082.20 g/mol
LogP21.03
Rot. Bonds8

About 4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile

4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile (PubChem CID 138498871) has the molecular formula C73H49F6N3 and a molecular weight of 1082.20 g/mol. Its IUPAC name is 4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
PubChem CID138498871
Molecular FormulaC73H49F6N3
Molecular Weight1082.20 g/mol
Exact Mass1081.38
IUPAC Name4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(C#N)c(-c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3-n3c4ccc(-c5cccc(C)c5)cc4c4cc(-c5cccc(C)c5)ccc43)c2)c1
InChIInChI=1S/C73H49F6N3/c1-43-9-5-13-47(31-43)51-18-26-67-62(35-51)63-36-52(48-14-6-10-44(2)32-48)19-27-68(63)81(67)58-24-17-56(42-80)60(41-58)61-39-55(59-25-23-57(72(74,75)76)40-66(59)73(77,78)79)22-30-69(61)82-70-28-20-53(49-15-7-11-45(3)33-49)37-64(70)65-38-54(21-29-71(65)82)50-16-8-12-46(4)34-50/h5-41H,1-4H3
InChIKeyWMKPZZGDXWVGFR-UHFFFAOYSA-N
XLogP21.03
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.20
LogP ≤ 521.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(3-methylphenyl)-6-(4-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 138499563
4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]-1-(trifluoromethyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499008
2-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 138499579
2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499069
2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylcarbazol-9-yl)phenyl]-4-(3-methylcarbazol-9-yl)benzonitrile
CID 138499437
2-[5-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-isocyanophenyl]-4-[3-(2,4-dimethylphenyl)-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 160872342
3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 139402067
3-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 138499140
3-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 148740453
4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499401
3-[2-[2-cyano-4-(trifluoromethyl)phenyl]-5-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 160809972
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 4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile?
The IUPAC name of 4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile (CID 138498871) is 4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile is Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(C#N)c(-c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3-n3c4ccc(-c5cccc(C)c5)cc4c4cc(-c5cccc(C)c5)ccc43)c2)c1.
What is the InChIKey of 4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile?
The InChIKey is WMKPZZGDXWVGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49F6N3/c1-43-9-5-13-47(31-43)51-18-26-67-62(35-51)63-36-52(48-14-6-10-44(2)32-48)19-27-68(63)81(67)58-24-17-56(42-80)60(41-58)61-39-55(59-25-23-57(72(74,75)76)40-66(59)73(77,78)79)22-30-69(61)82-70-28-20-53(49-15-7-11-45(3)33-49)37-64(70)65-38-54(21-29-71(65)82)50-16-8-12-46(4)34-50/h5-41H,1-4H3.
What are the key properties of 4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile?
4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile has a molecular weight of 1082.20 g/mol, XLogP of 21.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 138498871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).