2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile

C68H46F6N2 — CID 139402074

IUPAC2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)C(c2cc(C#N)c(-n4c5cc(-c6ccc(C)cc6)ccc5c5ccc(-c6ccc(C)cc6)cc54)cc2-c2ccc(C(F)(F)F)cc2C(F)(F)F)c2cc(-c4ccc(C)cc4)ccc2-3)cc1
InChIInChI=1S/C68H46F6N2/c1-39-5-13-43(14-6-39)47-21-26-53-54-27-22-48(44-15-7-40(2)8-16-44)32-60(54)66(59(53)31-47)61-33-51(38-75)63(37-58(61)55-30-25-52(67(69,70)71)36-62(55)68(72,73)74)76-64-34-49(45-17-9-41(3)10-18-45)23-28-56(64)57-29-24-50(35-65(57)76)46-19-11-42(4)12-20-46/h5-37,66H,1-4H3
InChIKeyFCXBCJHYVXZJON-UHFFFAOYSA-N
MW1005.12 g/mol
LogP19.42
Rot. Bonds7

About 2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile

2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile (PubChem CID 139402074) has the molecular formula C68H46F6N2 and a molecular weight of 1005.12 g/mol. Its IUPAC name is 2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
PubChem CID139402074
Molecular FormulaC68H46F6N2
Molecular Weight1005.12 g/mol
Exact Mass1004.36
IUPAC Name2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)C(c2cc(C#N)c(-n4c5cc(-c6ccc(C)cc6)ccc5c5ccc(-c6ccc(C)cc6)cc54)cc2-c2ccc(C(F)(F)F)cc2C(F)(F)F)c2cc(-c4ccc(C)cc4)ccc2-3)cc1
InChIInChI=1S/C68H46F6N2/c1-39-5-13-43(14-6-39)47-21-26-53-54-27-22-48(44-15-7-40(2)8-16-44)32-60(54)66(59(53)31-47)61-33-51(38-75)63(37-58(61)55-30-25-52(67(69,70)71)36-62(55)68(72,73)74)76-64-34-49(45-17-9-41(3)10-18-45)23-28-56(64)57-29-24-50(35-65(57)76)46-19-11-42(4)12-20-46/h5-37,66H,1-4H3
InChIKeyFCXBCJHYVXZJON-UHFFFAOYSA-N
XLogP19.42
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.12
LogP ≤ 519.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile with MolForge

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Related Compounds

4-[2,4-bis(trifluoromethyl)phenyl]-2,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 138567394
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 139402021
5-[9-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473751
4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134292984
4,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 139402110
3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 153303084
2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 134473578
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,5-bis(2,7-dimethylcarbazol-9-yl)benzonitrile
CID 153303102
2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134473580
2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 157403628
2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile
CID 153302736
9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-cyano-4-(3,6-dicyanocarbazol-9-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 134473609

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile (CID 139402074) is 2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile is Cc1ccc(-c2ccc3c(c2)C(c2cc(C#N)c(-n4c5cc(-c6ccc(C)cc6)ccc5c5ccc(-c6ccc(C)cc6)cc54)cc2-c2ccc(C(F)(F)F)cc2C(F)(F)F)c2cc(-c4ccc(C)cc4)ccc2-3)cc1.
What is the InChIKey of 2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is FCXBCJHYVXZJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46F6N2/c1-39-5-13-43(14-6-39)47-21-26-53-54-27-22-48(44-15-7-40(2)8-16-44)32-60(54)66(59(53)31-47)61-33-51(38-75)63(37-58(61)55-30-25-52(67(69,70)71)36-62(55)68(72,73)74)76-64-34-49(45-17-9-41(3)10-18-45)23-28-56(64)57-29-24-50(35-65(57)76)46-19-11-42(4)12-20-46/h5-37,66H,1-4H3.
What are the key properties of 2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile?
2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1005.12 g/mol, XLogP of 19.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-[2,7-bis(4-methylphenyl)-9H-fluoren-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 139402074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).