2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile

C70H36N10 — CID 155463345

IUPAC2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-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-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C#N)c1
InChIInChI=1S/C70H36N10/c71-37-43-29-50(39-73)68(51(30-43)40-74)47-24-27-65-58(33-47)59-34-48(69-52(41-75)31-44(38-72)32-53(69)42-76)25-28-66(59)80(65)67-35-49(70-77-60(45-13-3-1-4-14-45)36-61(78-70)46-15-5-2-6-16-46)23-26-57(67)56-19-9-12-22-64(56)79-62-20-10-7-17-54(62)55-18-8-11-21-63(55)79/h1-36H
InChIKeyRXNHNGIRLQJLFA-UHFFFAOYSA-N
MW1017.13 g/mol
LogP15.90
Rot. Bonds8

About 2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile

2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile (PubChem CID 155463345) has the molecular formula C70H36N10 and a molecular weight of 1017.13 g/mol. Its IUPAC name is 2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile.

Molecular Properties

Compound Name2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile
PubChem CID155463345
Molecular FormulaC70H36N10
Molecular Weight1017.13 g/mol
Exact Mass1016.31
IUPAC Name2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-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-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C#N)c1
InChIInChI=1S/C70H36N10/c71-37-43-29-50(39-73)68(51(30-43)40-74)47-24-27-65-58(33-47)59-34-48(69-52(41-75)31-44(38-72)32-53(69)42-76)25-28-66(59)80(65)67-35-49(70-77-60(45-13-3-1-4-14-45)36-61(78-70)46-15-5-2-6-16-46)23-26-57(67)56-19-9-12-22-64(56)79-62-20-10-7-17-54(62)55-18-8-11-21-63(55)79/h1-36H
InChIKeyRXNHNGIRLQJLFA-UHFFFAOYSA-N
XLogP15.90
TPSA178.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.13
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 155463042
4-[9-[2-[2-[3-(4-cyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 155463043
4-[9-[2-(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile
CID 155761235
9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155463041
2-[9-[4-(2-cyanophenyl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 139496015
4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile
CID 155761360
9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 155462612
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 159261000
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]benzonitrile
CID 154603008
2-[9-[4-cyano-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 155003281
4-[9-[2-[2-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155462890
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 155003380

Frequently Asked Questions

What is the IUPAC name of 2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile?
The IUPAC name of 2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile (CID 155463345) is 2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile.
What is the SMILES notation for 2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile?
The canonical SMILES for 2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-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-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C#N)c1.
What is the InChIKey of 2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile?
The InChIKey is RXNHNGIRLQJLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H36N10/c71-37-43-29-50(39-73)68(51(30-43)40-74)47-24-27-65-58(33-47)59-34-48(69-52(41-75)31-44(38-72)32-53(69)42-76)25-28-66(59)80(65)67-35-49(70-77-60(45-13-3-1-4-14-45)36-61(78-70)46-15-5-2-6-16-46)23-26-57(67)56-19-9-12-22-64(56)79-62-20-10-7-17-54(62)55-18-8-11-21-63(55)79/h1-36H.
What are the key properties of 2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile?
2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile has a molecular weight of 1017.13 g/mol, XLogP of 15.90, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile is sourced from PubChem (CID 155463345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).