4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

C67H37N9 — CID 155232983

IUPAC4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)c1
InChIInChI=1S/C67H37N9/c68-38-42-20-26-53(50(32-42)40-70)48-24-30-62-57(36-48)58-37-49(54-27-21-43(39-69)33-51(54)41-71)25-31-63(58)76(62)64-29-23-47(46-22-28-61-56(34-46)55-18-10-11-19-60(55)75(61)52-16-8-3-9-17-52)35-59(64)67-73-65(44-12-4-1-5-13-44)72-66(74-67)45-14-6-2-7-15-45/h1-37H
InChIKeyGQKSECCRQOEIAK-UHFFFAOYSA-N
MW968.10 g/mol
LogP15.55
Rot. Bonds8

About 4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 155232983) has the molecular formula C67H37N9 and a molecular weight of 968.10 g/mol. Its IUPAC name is 4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID155232983
Molecular FormulaC67H37N9
Molecular Weight968.10 g/mol
Exact Mass967.32
IUPAC Name4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)c1
InChIInChI=1S/C67H37N9/c68-38-42-20-26-53(50(32-42)40-70)48-24-30-62-57(36-48)58-37-49(54-27-21-43(39-69)33-51(54)41-71)25-31-63(58)76(62)64-29-23-47(46-22-28-61-56(34-46)55-18-10-11-19-60(55)75(61)52-16-8-3-9-17-52)35-59(64)67-73-65(44-12-4-1-5-13-44)72-66(74-67)45-14-6-2-7-15-45/h1-37H
InChIKeyGQKSECCRQOEIAK-UHFFFAOYSA-N
XLogP15.55
TPSA143.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.10
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155232577
4-[9-[4-[3-[4-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166900078
4-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137420750
4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 134321459
4-[9-[4-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565357
4-[9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137421031
4-[9-[3-[2-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 139496142
5-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155232984
4-[9-[2-[3-[2-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166899923
4-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 137421119
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414465
4-[9-[3-[3-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166900277

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 155232983) is 4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4C#N)ccc2n3-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)c1.
What is the InChIKey of 4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is GQKSECCRQOEIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H37N9/c68-38-42-20-26-53(50(32-42)40-70)48-24-30-62-57(36-48)58-37-49(54-27-21-43(39-69)33-51(54)41-71)25-31-63(58)76(62)64-29-23-47(46-22-28-61-56(34-46)55-18-10-11-19-60(55)75(61)52-16-8-3-9-17-52)35-59(64)67-73-65(44-12-4-1-5-13-44)72-66(74-67)45-14-6-2-7-15-45/h1-37H.
What are the key properties of 4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 968.10 g/mol, XLogP of 15.55, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,4-dicyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155232983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).