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

C73H49F6N3 — CID 138498831

IUPAC3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
SMILESCc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1-c1ccc(C#N)cc1-n1c2ccc(-c3ccccc3C)cc2c2cc(-c3ccccc3C)ccc21
InChIInChI=1S/C73H49F6N3/c1-43-13-5-9-17-54(43)48-22-30-67-61(36-48)62-37-49(55-18-10-6-14-44(55)2)23-31-68(62)81(67)66-34-26-52(58-29-27-53(72(74,75)76)41-65(58)73(77,78)79)40-60(66)59-28-21-47(42-80)35-71(59)82-69-32-24-50(56-19-11-7-15-45(56)3)38-63(69)64-39-51(25-33-70(64)82)57-20-12-8-16-46(57)4/h5-41H,1-4H3
InChIKeyASPJZUOPBCRDIR-UHFFFAOYSA-N
MW1082.20 g/mol
LogP21.03
Rot. Bonds8

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

3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile (PubChem CID 138498831) has the molecular formula C73H49F6N3 and a molecular weight of 1082.20 g/mol. Its IUPAC name is 3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
PubChem CID138498831
Molecular FormulaC73H49F6N3
Molecular Weight1082.20 g/mol
Exact Mass1081.38
IUPAC Name3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
SMILESCc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1-c1ccc(C#N)cc1-n1c2ccc(-c3ccccc3C)cc2c2cc(-c3ccccc3C)ccc21
InChIInChI=1S/C73H49F6N3/c1-43-13-5-9-17-54(43)48-22-30-67-61(36-48)62-37-49(55-18-10-6-14-44(55)2)23-31-68(62)81(67)66-34-26-52(58-29-27-53(72(74,75)76)41-65(58)73(77,78)79)40-60(66)59-28-21-47(42-80)35-71(59)82-69-32-24-50(56-19-11-7-15-45(56)3)38-63(69)64-39-51(25-33-70(64)82)57-20-12-8-16-46(57)4/h5-41H,1-4H3
InChIKeyASPJZUOPBCRDIR-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-[4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499206
3-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile
CID 139526121
4-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(4-cyanophenyl)carbazol-9-yl]phenyl]-3-[3-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138498833
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
3,5-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 138567372
3-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499143
4-[5-[2,6-bis(trifluoromethyl)phenyl]-2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 138499814
4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499304
3-[4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 138499904
3-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(4-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138499518
3-[4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]-4-[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 138499454
3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499309

Frequently Asked Questions

What is the IUPAC name of 3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile?
The IUPAC name of 3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile (CID 138498831) is 3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile is Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1-c1ccc(C#N)cc1-n1c2ccc(-c3ccccc3C)cc2c2cc(-c3ccccc3C)ccc21.
What is the InChIKey of 3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile?
The InChIKey is ASPJZUOPBCRDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49F6N3/c1-43-13-5-9-17-54(43)48-22-30-67-61(36-48)62-37-49(55-18-10-6-14-44(55)2)23-31-68(62)81(67)66-34-26-52(58-29-27-53(72(74,75)76)41-65(58)73(77,78)79)40-60(66)59-28-21-47(42-80)35-71(59)82-69-32-24-50(56-19-11-7-15-45(56)3)38-63(69)64-39-51(25-33-70(64)82)57-20-12-8-16-46(57)4/h5-41H,1-4H3.
What are the key properties of 3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile?
3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-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 3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 138498831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).