5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile

C70H30F6N10 — CID 138749589

IUPAC5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4n(-c4ccc(C(F)(F)F)c(-c5cc(-n6c7cc(-c8cc(C#N)cc(C#N)c8)ccc7c7ccc(-c8cc(C#N)cc(C#N)c8)cc76)ccc5C(F)(F)F)c4)c3c2)c1
InChIInChI=1S/C70H30F6N10/c71-69(72,73)63-11-5-55(85-65-25-47(51-17-39(31-77)13-40(18-51)32-78)1-7-57(65)58-8-2-48(26-66(58)85)52-19-41(33-79)14-42(20-52)34-80)29-61(63)62-30-56(6-12-64(62)70(74,75)76)86-67-27-49(53-21-43(35-81)15-44(22-53)36-82)3-9-59(67)60-10-4-50(28-68(60)86)54-23-45(37-83)16-46(24-54)38-84/h1-30H
InChIKeyPHDMQPCQHJYNRY-UHFFFAOYSA-N
MW1125.07 g/mol
LogP17.23
Rot. Bonds7

About 5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile

5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 138749589) has the molecular formula C70H30F6N10 and a molecular weight of 1125.07 g/mol. Its IUPAC name is 5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
PubChem CID138749589
Molecular FormulaC70H30F6N10
Molecular Weight1125.07 g/mol
Exact Mass1124.26
IUPAC Name5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4n(-c4ccc(C(F)(F)F)c(-c5cc(-n6c7cc(-c8cc(C#N)cc(C#N)c8)ccc7c7ccc(-c8cc(C#N)cc(C#N)c8)cc76)ccc5C(F)(F)F)c4)c3c2)c1
InChIInChI=1S/C70H30F6N10/c71-69(72,73)63-11-5-55(85-65-25-47(51-17-39(31-77)13-40(18-51)32-78)1-7-57(65)58-8-2-48(26-66(58)85)52-19-41(33-79)14-42(20-52)34-80)29-61(63)62-30-56(6-12-64(62)70(74,75)76)86-67-27-49(53-21-43(35-81)15-44(22-53)36-82)3-9-59(67)60-10-4-50(28-68(60)86)54-23-45(37-83)16-46(24-54)38-84/h1-30H
InChIKeyPHDMQPCQHJYNRY-UHFFFAOYSA-N
XLogP17.23
TPSA200.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.07
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

4-[7-(4-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 138486487
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
5-[3,5-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 162612242
4-[9-[3-[5-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138749621
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
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
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
5-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-cyano-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473326
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile
CID 138486696
9-[3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-phenylcarbazole
CID 161037605
3,5-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 137386936
9-[5-[3-(2-cyanocarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]carbazole-2-carbonitrile
CID 138736023

Frequently Asked Questions

What is the IUPAC name of 5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (CID 138749589) is 5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4n(-c4ccc(C(F)(F)F)c(-c5cc(-n6c7cc(-c8cc(C#N)cc(C#N)c8)ccc7c7ccc(-c8cc(C#N)cc(C#N)c8)cc76)ccc5C(F)(F)F)c4)c3c2)c1.
What is the InChIKey of 5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
The InChIKey is PHDMQPCQHJYNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H30F6N10/c71-69(72,73)63-11-5-55(85-65-25-47(51-17-39(31-77)13-40(18-51)32-78)1-7-57(65)58-8-2-48(26-66(58)85)52-19-41(33-79)14-42(20-52)34-80)29-61(63)62-30-56(6-12-64(62)70(74,75)76)86-67-27-49(53-21-43(35-81)15-44(22-53)36-82)3-9-59(67)60-10-4-50(28-68(60)86)54-23-45(37-83)16-46(24-54)38-84/h1-30H.
What are the key properties of 5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?
5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1125.07 g/mol, XLogP of 17.23, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[3-[5-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 138749589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).