5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile

C46H24F3N5 — CID 164744006

IUPAC5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(C(F)(F)F)c4)ccc32)c1
InChIInChI=1S/C46H24F3N5/c47-46(48,49)34-21-32(22-35(24-34)53-41-10-4-1-7-36(41)37-8-2-5-11-42(37)53)31-14-16-45-40(23-31)38-9-3-6-12-43(38)54(45)44-15-13-28(25-50)20-39(44)33-18-29(26-51)17-30(19-33)27-52/h1-24H
InChIKeyHIDGUFSVROUZRP-UHFFFAOYSA-N
MW703.73 g/mol
LogP11.85
Rot. Bonds4

About 5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile

5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile (PubChem CID 164744006) has the molecular formula C46H24F3N5 and a molecular weight of 703.73 g/mol. Its IUPAC name is 5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
PubChem CID164744006
Molecular FormulaC46H24F3N5
Molecular Weight703.73 g/mol
Exact Mass703.20
IUPAC Name5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(C(F)(F)F)c4)ccc32)c1
InChIInChI=1S/C46H24F3N5/c47-46(48,49)34-21-32(22-35(24-34)53-41-10-4-1-7-36(41)37-8-2-5-11-42(37)53)31-14-16-45-40(23-31)38-9-3-6-12-43(38)54(45)44-15-13-28(25-50)20-39(44)33-18-29(26-51)17-30(19-33)27-52/h1-24H
InChIKeyHIDGUFSVROUZRP-UHFFFAOYSA-N
XLogP11.85
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.73
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 167035242
4-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile
CID 164744011
5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-cyano-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138499701
3-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(3-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(3-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138499490
5-[9-[2-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137386723
3-[2-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 138500010
3-[4-[3,5-bis(trifluoromethyl)phenyl]-2-(3-tert-butylcarbazol-9-yl)phenyl]-4-(3-tert-butylcarbazol-9-yl)benzonitrile
CID 138499668
3-[2-[3,5-bis(trifluoromethyl)phenyl]-5-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 138499213
9-[4-[3,5-bis(trifluoromethyl)phenyl]-3-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 138499801
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409764
4-[3-(3-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 146609194
3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylbenzonitrile
CID 138565840

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile (CID 164744006) is 5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2cc(C#N)ccc2-n2c3ccccc3c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(C(F)(F)F)c4)ccc32)c1.
What is the InChIKey of 5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile?
The InChIKey is HIDGUFSVROUZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24F3N5/c47-46(48,49)34-21-32(22-35(24-34)53-41-10-4-1-7-36(41)37-8-2-5-11-42(37)53)31-14-16-45-40(23-31)38-9-3-6-12-43(38)54(45)44-15-13-28(25-50)20-39(44)33-18-29(26-51)17-30(19-33)27-52/h1-24H.
What are the key properties of 5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile?
5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile has a molecular weight of 703.73 g/mol, XLogP of 11.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[3-carbazol-9-yl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 164744006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).