5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile

C70H30F3N11 — CID 146238063

IUPAC5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5cc(C#N)cc(C#N)c5)ccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5cc(C#N)cc(C#N)c5)ccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)c2)c1
InChIInChI=1S/C70H30F3N11/c71-70(72,73)69-67(83-63-25-50(54-17-41(32-75)12-42(18-54)33-76)4-8-59(63)60-9-5-51(26-64(60)83)55-19-43(34-77)13-44(20-55)35-78)29-58(49-3-1-2-40(16-49)31-74)30-68(69)84-65-27-52(56-21-45(36-79)14-46(22-56)37-80)6-10-61(65)62-11-7-53(28-66(62)84)57-23-47(38-81)15-48(24-57)39-82/h1-30H
InChIKeyDMXPMKVOIASOIQ-UHFFFAOYSA-N
MW1082.08 g/mol
LogP16.08
Rot. Bonds7

About 5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile

5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 146238063) has the molecular formula C70H30F3N11 and a molecular weight of 1082.08 g/mol. Its IUPAC name is 5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
PubChem CID146238063
Molecular FormulaC70H30F3N11
Molecular Weight1082.08 g/mol
Exact Mass1081.26
IUPAC Name5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5cc(C#N)cc(C#N)c5)ccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5cc(C#N)cc(C#N)c5)ccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)c2)c1
InChIInChI=1S/C70H30F3N11/c71-70(72,73)69-67(83-63-25-50(54-17-41(32-75)12-42(18-54)33-76)4-8-59(63)60-9-5-51(26-64(60)83)55-19-43(34-77)13-44(20-55)35-78)29-58(49-3-1-2-40(16-49)31-74)30-68(69)84-65-27-52(56-21-45(36-79)14-46(22-56)37-80)6-10-61(65)62-11-7-53(28-66(62)84)57-23-47(38-81)15-48(24-57)39-82/h1-30H
InChIKeyDMXPMKVOIASOIQ-UHFFFAOYSA-N
XLogP16.08
TPSA223.97 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001082.08
LogP ≤ 516.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

3-[9-[3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3-cyanophenyl)carbazol-2-yl]benzonitrile
CID 146238055
3-[3,5-bis(2,7-ditert-butylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 155377995
2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 159473488
2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377522
3-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(2-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,5-bis(3-phenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 160603792
5-[3,5-di(carbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 139538793
5-[9-[5-(3-cyanophenyl)-2-[2-(3,5-dicyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 146238206
3-[3,5-bis[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238232
5-[9-[2-cyano-5-(3-cyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465799
3-[3,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146237861
5-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612242
3-[3,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238097

Frequently Asked Questions

What is the IUPAC name of 5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (CID 146238063) is 5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is N#Cc1cccc(-c2cc(-n3c4cc(-c5cc(C#N)cc(C#N)c5)ccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5cc(C#N)cc(C#N)c5)ccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)c2)c1.
What is the InChIKey of 5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The InChIKey is DMXPMKVOIASOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H30F3N11/c71-70(72,73)69-67(83-63-25-50(54-17-41(32-75)12-42(18-54)33-76)4-8-59(63)60-9-5-51(26-64(60)83)55-19-43(34-77)13-44(20-55)35-78)29-58(49-3-1-2-40(16-49)31-74)30-68(69)84-65-27-52(56-21-45(36-79)14-46(22-56)37-80)6-10-61(65)62-11-7-53(28-66(62)84)57-23-47(38-81)15-48(24-57)39-82/h1-30H.
What are the key properties of 5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1082.08 g/mol, XLogP of 16.08, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[3-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-2-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 146238063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).