2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile

C72H26N16 — CID 146409317

IUPAC2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile
SMILESN#Cc1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4C#N)ccc2n3-c2ccc(C#N)cc2-c2ccncc2-n2c3ccc(-c4c(C#N)cc(C#N)cc4C#N)cc3c3cc(-c4c(C#N)cc(C#N)cc4C#N)ccc32)c(C#N)c1
InChIInChI=1S/C72H26N16/c73-26-40-1-6-63(87-64-7-2-45(69-49(31-78)13-41(27-74)14-50(69)32-79)22-59(64)60-23-46(3-8-65(60)87)70-51(33-80)15-42(28-75)16-52(70)34-81)58(21-40)57-11-12-86-39-68(57)88-66-9-4-47(71-53(35-82)17-43(29-76)18-54(71)36-83)24-61(66)62-25-48(5-10-67(62)88)72-55(37-84)19-44(30-77)20-56(72)38-85/h1-25,39H
InChIKeyALWPYXSTUVOUIM-UHFFFAOYSA-N
MW1115.11 g/mol
LogP13.94
Rot. Bonds7

About 2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile

2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile (PubChem CID 146409317) has the molecular formula C72H26N16 and a molecular weight of 1115.11 g/mol. Its IUPAC name is 2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile.

Molecular Properties

Compound Name2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile
PubChem CID146409317
Molecular FormulaC72H26N16
Molecular Weight1115.11 g/mol
Exact Mass1114.25
IUPAC Name2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile
SMILESN#Cc1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4C#N)ccc2n3-c2ccc(C#N)cc2-c2ccncc2-n2c3ccc(-c4c(C#N)cc(C#N)cc4C#N)cc3c3cc(-c4c(C#N)cc(C#N)cc4C#N)ccc32)c(C#N)c1
InChIInChI=1S/C72H26N16/c73-26-40-1-6-63(87-64-7-2-45(69-49(31-78)13-41(27-74)14-50(69)32-79)22-59(64)60-23-46(3-8-65(60)87)70-51(33-80)15-42(28-75)16-52(70)34-81)58(21-40)57-11-12-86-39-68(57)88-66-9-4-47(71-53(35-82)17-43(29-76)18-54(71)36-83)24-61(66)62-25-48(5-10-67(62)88)72-55(37-84)19-44(30-77)20-56(72)38-85/h1-25,39H
InChIKeyALWPYXSTUVOUIM-UHFFFAOYSA-N
XLogP13.94
TPSA332.02 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001115.11
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile with MolForge

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Related Compounds

2-[9-[2-[4-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 146409656
5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409316
4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409611
4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146409744
4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409434
5-[9-[2-[4-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409662
4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409327
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
3-[3-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-[9-[4-[5-cyano-2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-[5-cyano-2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]phenyl]-3-pyridinyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[3-[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 157163475
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495084
3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 159047347
3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile
CID 139523628

Frequently Asked Questions

What is the IUPAC name of 2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile?
The IUPAC name of 2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile (CID 146409317) is 2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile.
What is the SMILES notation for 2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile?
The canonical SMILES for 2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile is N#Cc1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4C#N)ccc2n3-c2ccc(C#N)cc2-c2ccncc2-n2c3ccc(-c4c(C#N)cc(C#N)cc4C#N)cc3c3cc(-c4c(C#N)cc(C#N)cc4C#N)ccc32)c(C#N)c1.
What is the InChIKey of 2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile?
The InChIKey is ALWPYXSTUVOUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H26N16/c73-26-40-1-6-63(87-64-7-2-45(69-49(31-78)13-41(27-74)14-50(69)32-79)22-59(64)60-23-46(3-8-65(60)87)70-51(33-80)15-42(28-75)16-52(70)34-81)58(21-40)57-11-12-86-39-68(57)88-66-9-4-47(71-53(35-82)17-43(29-76)18-54(71)36-83)24-61(66)62-25-48(5-10-67(62)88)72-55(37-84)19-44(30-77)20-56(72)38-85/h1-25,39H.
What are the key properties of 2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile?
2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile has a molecular weight of 1115.11 g/mol, XLogP of 13.94, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile is sourced from PubChem (CID 146409317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).