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

C70H30F6N10 — CID 138749621

IUPAC4-[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
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2ccc(C(F)(F)F)c(-c3cc(-n4c5ccc(-c6ccc(C#N)cc6C#N)cc5c5cc(-c6ccc(C#N)cc6C#N)ccc54)ccc3C(F)(F)F)c2)c(C#N)c1
InChIInChI=1S/C70H30F6N10/c71-69(72,73)63-15-9-51(85-65-17-5-43(53-11-1-39(31-77)21-47(53)35-81)25-59(65)60-26-44(6-18-66(60)85)54-12-2-40(32-78)22-48(54)36-82)29-57(63)58-30-52(10-16-64(58)70(74,75)76)86-67-19-7-45(55-13-3-41(33-79)23-49(55)37-83)27-61(67)62-28-46(8-20-68(62)86)56-14-4-42(34-80)24-50(56)38-84/h1-30H
InChIKeyBMRYFHRXNFEJCA-UHFFFAOYSA-N
MW1125.07 g/mol
LogP17.23
Rot. Bonds7

About 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

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 (PubChem CID 138749621) has the molecular formula C70H30F6N10 and a molecular weight of 1125.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID138749621
Molecular FormulaC70H30F6N10
Molecular Weight1125.07 g/mol
Exact Mass1124.26
IUPAC Name4-[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
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2ccc(C(F)(F)F)c(-c3cc(-n4c5ccc(-c6ccc(C#N)cc6C#N)cc5c5cc(-c6ccc(C#N)cc6C#N)ccc54)ccc3C(F)(F)F)c2)c(C#N)c1
InChIInChI=1S/C70H30F6N10/c71-69(72,73)63-15-9-51(85-65-17-5-43(53-11-1-39(31-77)21-47(53)35-81)25-59(65)60-26-44(6-18-66(60)85)54-12-2-40(32-78)22-48(54)36-82)29-57(63)58-30-52(10-16-64(58)70(74,75)76)86-67-19-7-45(55-13-3-41(33-79)23-49(55)37-83)27-61(67)62-28-46(8-20-68(62)86)56-14-4-42(34-80)24-50(56)38-84/h1-30H
InChIKeyBMRYFHRXNFEJCA-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 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 with MolForge

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Related Compounds

4-[9-[3-[2-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-cyanophenyl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138499639
4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137393080
4-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-[5-[3,6-bis[2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-cyanophenyl]benzonitrile
CID 138749756
4-[9-[3-[3,5-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166669960
4-[9-[4-cyano-2-[2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 139526285
3-[2-[2,6-bis(trifluoromethyl)phenyl]-5-[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138500039
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
2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 138554542
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
2-[9-[3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 138554541
2-[5-[4-cyano-2-(trifluoromethyl)phenyl]-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-3-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 149011330
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2ccc(C(F)(F)F)c(-c3cc(-n4c5ccc(-c6ccc(C#N)cc6C#N)cc5c5cc(-c6ccc(C#N)cc6C#N)ccc54)ccc3C(F)(F)F)c2)c(C#N)c1.
What is the InChIKey of 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?
The InChIKey is BMRYFHRXNFEJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H30F6N10/c71-69(72,73)63-15-9-51(85-65-17-5-43(53-11-1-39(31-77)21-47(53)35-81)25-59(65)60-26-44(6-18-66(60)85)54-12-2-40(32-78)22-48(54)36-82)29-57(63)58-30-52(10-16-64(58)70(74,75)76)86-67-19-7-45(55-13-3-41(33-79)23-49(55)37-83)27-61(67)62-28-46(8-20-68(62)86)56-14-4-42(34-80)24-50(56)38-84/h1-30H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 138749621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).