5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

C148H76N24 — CID 160703568

IUPAC5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILES[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cnccc3-n3c4ccc(-c5cc(C#N)cc([N+]#[C-])c5)cc4c4cc(-c5cc(C#N)cc([N+]#[C-])c5)ccc43)c2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccncc2-c2cc(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C82H40N14.C66H36N10/c1-88-64-32-51(45-85)29-61(35-64)57-15-21-76-71(39-57)70-38-56(60-27-49(43-83)26-50(28-60)44-84)14-20-75(70)95(76)67-18-19-68(82-93-80(54-10-6-4-7-11-54)92-81(94-82)55-12-8-5-9-13-55)69(42-67)74-48-91-25-24-79(74)96-77-22-16-58(62-30-52(46-86)33-65(36-62)89-2)40-72(77)73-41-59(17-23-78(73)96)63-31-53(47-87)34-66(37-63)90-3;1-70-50-32-43(39-69)31-49(33-50)47-21-25-62-57(35-47)53-17-9-11-19-60(53)76(62)63-26-27-71-40-58(63)55-36-51(22-23-54(55)66-73-64(44-12-4-2-5-13-44)72-65(74-66)45-14-6-3-7-15-45)75-59-18-10-8-16-52(59)56-34-46(20-24-61(56)75)48-29-41(37-67)28-42(30-48)38-68/h4-42,48H;2-36,40H
InChIKeyRQXTXYYQBOPXIL-UHFFFAOYSA-N
MW2190.40 g/mol
LogP35.44
Rot. Bonds18

About 5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 160703568) has the molecular formula C148H76N24 and a molecular weight of 2190.40 g/mol. Its IUPAC name is 5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID160703568
Molecular FormulaC148H76N24
Molecular Weight2190.40 g/mol
Exact Mass2188.67
IUPAC Name5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILES[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cnccc3-n3c4ccc(-c5cc(C#N)cc([N+]#[C-])c5)cc4c4cc(-c5cc(C#N)cc([N+]#[C-])c5)ccc43)c2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccncc2-c2cc(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C82H40N14.C66H36N10/c1-88-64-32-51(45-85)29-61(35-64)57-15-21-76-71(39-57)70-38-56(60-27-49(43-83)26-50(28-60)44-84)14-20-75(70)95(76)67-18-19-68(82-93-80(54-10-6-4-7-11-54)92-81(94-82)55-12-8-5-9-13-55)69(42-67)74-48-91-25-24-79(74)96-77-22-16-58(62-30-52(46-86)33-65(36-62)89-2)40-72(77)73-41-59(17-23-78(73)96)63-31-53(47-87)34-66(37-63)90-3;1-70-50-32-43(39-69)31-49(33-50)47-21-25-62-57(35-47)53-17-9-11-19-60(53)76(62)63-26-27-71-40-58(63)55-36-51(22-23-54(55)66-73-64(44-12-4-2-5-13-44)72-65(74-66)45-14-6-3-7-15-45)75-59-18-10-8-16-52(59)56-34-46(20-24-61(56)75)48-29-41(37-67)28-42(30-48)38-68/h4-42,48H;2-36,40H
InChIKeyRQXTXYYQBOPXIL-UHFFFAOYSA-N
XLogP35.44
TPSA330.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002190.40
LogP ≤ 535.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 140871931
3-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 140871870
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 169045265
5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138578896
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 146409650
3-[9-[3-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 156679314
9-[4-cyano-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 154603054
3-[9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]-5-isocyanobenzonitrile
CID 158031667
5-[9-[2-[2-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-isocyanophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 153432173
9-[3-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazole-3,6-dicarbonitrile
CID 156679371
3-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 155627999
9-[3-[2-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 139496248

Frequently Asked Questions

What is the IUPAC name of 5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 160703568) is 5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is [C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cnccc3-n3c4ccc(-c5cc(C#N)cc([N+]#[C-])c5)cc4c4cc(-c5cc(C#N)cc([N+]#[C-])c5)ccc43)c2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccncc2-c2cc(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is RQXTXYYQBOPXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H40N14.C66H36N10/c1-88-64-32-51(45-85)29-61(35-64)57-15-21-76-71(39-57)70-38-56(60-27-49(43-83)26-50(28-60)44-84)14-20-75(70)95(76)67-18-19-68(82-93-80(54-10-6-4-7-11-54)92-81(94-82)55-12-8-5-9-13-55)69(42-67)74-48-91-25-24-79(74)96-77-22-16-58(62-30-52(46-86)33-65(36-62)89-2)40-72(77)73-41-59(17-23-78(73)96)63-31-53(47-87)34-66(37-63)90-3;1-70-50-32-43(39-69)31-49(33-50)47-21-25-62-57(35-47)53-17-9-11-19-60(53)76(62)63-26-27-71-40-58(63)55-36-51(22-23-54(55)66-73-64(44-12-4-2-5-13-44)72-65(74-66)45-14-6-3-7-15-45)75-59-18-10-8-16-52(59)56-34-46(20-24-61(56)75)48-29-41(37-67)28-42(30-48)38-68/h4-42,48H;2-36,40H.
What are the key properties of 5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 2190.40 g/mol, XLogP of 35.44, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 160703568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).