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

C52H26F12N4 — CID 162609731

IUPAC4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1
InChIInChI=1S/C52H26F12N4/c53-49(54,55)32-15-17-34(40(23-32)51(59,60)61)30-13-19-44-38(21-30)36-5-1-3-7-42(36)67(44)46-26-66-27-47(48(46)29-11-9-28(25-65)10-12-29)68-43-8-4-2-6-37(43)39-22-31(14-20-45(39)68)35-18-16-33(50(56,57)58)24-41(35)52(62,63)64/h1-24,26-27H
InChIKeyNVLVLQINDUYBAP-UHFFFAOYSA-N
MW934.78 g/mol
LogP16.22
Rot. Bonds5

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

4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 162609731) has the molecular formula C52H26F12N4 and a molecular weight of 934.78 g/mol. Its IUPAC name is 4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID162609731
Molecular FormulaC52H26F12N4
Molecular Weight934.78 g/mol
Exact Mass934.20
IUPAC Name4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1
InChIInChI=1S/C52H26F12N4/c53-49(54,55)32-15-17-34(40(23-32)51(59,60)61)30-13-19-44-38(21-30)36-5-1-3-7-42(36)67(44)46-26-66-27-47(48(46)29-11-9-28(25-65)10-12-29)68-43-8-4-2-6-37(43)39-22-31(14-20-45(39)68)35-18-16-33(50(56,57)58)24-41(35)52(62,63)64/h1-24,26-27H
InChIKeyNVLVLQINDUYBAP-UHFFFAOYSA-N
XLogP16.22
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.78
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238200
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-[4-[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 138499505
3-[4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 138499904
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-[9-[2-[4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-5-cyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138499082
3-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512748
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
4-[4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-3-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 157398570
3-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138499169
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

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 162609731) is 4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile is N#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1.
What is the InChIKey of 4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is NVLVLQINDUYBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H26F12N4/c53-49(54,55)32-15-17-34(40(23-32)51(59,60)61)30-13-19-44-38(21-30)36-5-1-3-7-42(36)67(44)46-26-66-27-47(48(46)29-11-9-28(25-65)10-12-29)68-43-8-4-2-6-37(43)39-22-31(14-20-45(39)68)35-18-16-33(50(56,57)58)24-41(35)52(62,63)64/h1-24,26-27H.
What are the key properties of 4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile?
4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 934.78 g/mol, XLogP of 16.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 162609731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).