7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile

C160H95N11 — CID 158645813

IUPAC7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccc(-c3ccc(-c4ccc5ccc6c(-c7ccccc7)ccc7ccc4c5c76)cc3)cc1n2-c1ccccc1.N#Cc1ccc2c3ccc(-c4ccc(-c5ccc6ccc7c(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)ccc8ccc5c6c87)cc4)cc3n(-c3ccccc3)c2c1.N#Cc1ccc2c3ccc(-c4ccc(-c5ccc6ccc7c(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)ccc8ccc5c6c87)cc4)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C57H34N4.C56H33N5.C47H28N2/c58-35-36-16-26-46-47-28-25-43(33-54(47)61(53(46)32-36)44-14-8-3-9-15-44)37-17-19-38(20-18-37)45-27-21-41-23-30-49-50(31-24-42-22-29-48(45)55(41)56(42)49)57-59-51(39-10-4-1-5-11-39)34-52(60-57)40-12-6-2-7-13-40;57-34-35-16-26-45-46-28-25-42(33-51(46)61(50(45)32-35)43-14-8-3-9-15-43)36-17-19-37(20-18-36)44-27-21-38-23-30-48-49(31-24-39-22-29-47(44)52(38)53(39)48)56-59-54(40-10-4-1-5-11-40)58-55(60-56)41-12-6-2-7-13-41;48-29-30-11-26-44-43(27-30)40-23-20-36(28-45(40)49(44)37-9-5-2-6-10-37)31-12-14-33(15-13-31)39-22-17-35-18-24-41-38(32-7-3-1-4-8-32)21-16-34-19-25-42(39)47(35)46(34)41/h1-34H;1-33H;1-28H
InChIKeyIAYJTEXGEPYPRK-UHFFFAOYSA-N
MW2171.60 g/mol
LogP41.30
Rot. Bonds16

About 7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile

7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile (PubChem CID 158645813) has the molecular formula C160H95N11 and a molecular weight of 2171.60 g/mol. Its IUPAC name is 7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile
PubChem CID158645813
Molecular FormulaC160H95N11
Molecular Weight2171.60 g/mol
Exact Mass2169.78
IUPAC Name7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccc(-c3ccc(-c4ccc5ccc6c(-c7ccccc7)ccc7ccc4c5c76)cc3)cc1n2-c1ccccc1.N#Cc1ccc2c3ccc(-c4ccc(-c5ccc6ccc7c(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)ccc8ccc5c6c87)cc4)cc3n(-c3ccccc3)c2c1.N#Cc1ccc2c3ccc(-c4ccc(-c5ccc6ccc7c(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)ccc8ccc5c6c87)cc4)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C57H34N4.C56H33N5.C47H28N2/c58-35-36-16-26-46-47-28-25-43(33-54(47)61(53(46)32-36)44-14-8-3-9-15-44)37-17-19-38(20-18-37)45-27-21-41-23-30-49-50(31-24-42-22-29-48(45)55(41)56(42)49)57-59-51(39-10-4-1-5-11-39)34-52(60-57)40-12-6-2-7-13-40;57-34-35-16-26-45-46-28-25-42(33-51(46)61(50(45)32-35)43-14-8-3-9-15-43)36-17-19-37(20-18-36)44-27-21-38-23-30-48-49(31-24-39-22-29-47(44)52(38)53(39)48)56-59-54(40-10-4-1-5-11-40)58-55(60-56)41-12-6-2-7-13-41;48-29-30-11-26-44-43(27-30)40-23-20-36(28-45(40)49(44)37-9-5-2-6-10-37)31-12-14-33(15-13-31)39-22-17-35-18-24-41-38(32-7-3-1-4-8-32)21-16-34-19-25-42(39)47(35)46(34)41/h1-34H;1-33H;1-28H
InChIKeyIAYJTEXGEPYPRK-UHFFFAOYSA-N
XLogP41.30
TPSA150.61 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002171.60
LogP ≤ 541.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile with MolForge

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Related Compounds

8-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]dibenzothiophene-2-carbonitrile;8-(6-naphthalen-1-ylpyren-1-yl)dibenzothiophene-2-carbonitrile;9-phenyl-6-(4-pyren-1-ylphenyl)carbazole-3-carbonitrile
CID 161481181
9-[6-(3-cyanocarbazol-9-yl)-9-[4-[3-cyano-4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 126734523
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 118152758
9-[6-carbazol-9-yl-9-[4-[4-[2-cyano-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 126734537
9-[9-[4-[4-[3-cyano-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 126734716
6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoranthen-3-yl]phenyl]-9-phenylcarbazole-3-carbonitrile
CID 165376102
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 161155963
2-[9-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160745522
2-[9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160933001
9-[4-cyano-2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-2-carbonitrile;4-(2,7-diphenylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)benzonitrile;4-(3,6-diphenylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)benzonitrile;3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile;3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 159413736
9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]carbazole
CID 58273517
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole-3-carbonitrile
CID 118152961

Frequently Asked Questions

What is the IUPAC name of 7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile (CID 158645813) is 7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccc(-c3ccc(-c4ccc5ccc6c(-c7ccccc7)ccc7ccc4c5c76)cc3)cc1n2-c1ccccc1.N#Cc1ccc2c3ccc(-c4ccc(-c5ccc6ccc7c(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)ccc8ccc5c6c87)cc4)cc3n(-c3ccccc3)c2c1.N#Cc1ccc2c3ccc(-c4ccc(-c5ccc6ccc7c(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)ccc8ccc5c6c87)cc4)cc3n(-c3ccccc3)c2c1.
What is the InChIKey of 7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile?
The InChIKey is IAYJTEXGEPYPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4.C56H33N5.C47H28N2/c58-35-36-16-26-46-47-28-25-43(33-54(47)61(53(46)32-36)44-14-8-3-9-15-44)37-17-19-38(20-18-37)45-27-21-41-23-30-49-50(31-24-42-22-29-48(45)55(41)56(42)49)57-59-51(39-10-4-1-5-11-39)34-52(60-57)40-12-6-2-7-13-40;57-34-35-16-26-45-46-28-25-42(33-51(46)61(50(45)32-35)43-14-8-3-9-15-43)36-17-19-37(20-18-36)44-27-21-38-23-30-48-49(31-24-39-22-29-47(44)52(38)53(39)48)56-59-54(40-10-4-1-5-11-40)58-55(60-56)41-12-6-2-7-13-41;48-29-30-11-26-44-43(27-30)40-23-20-36(28-45(40)49(44)37-9-5-2-6-10-37)31-12-14-33(15-13-31)39-22-17-35-18-24-41-38(32-7-3-1-4-8-32)21-16-34-19-25-42(39)47(35)46(34)41/h1-34H;1-33H;1-28H.
What are the key properties of 7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile?
7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile has a molecular weight of 2171.60 g/mol, XLogP of 41.30, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[6-(4,6-diphenylpyrimidin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;7-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 158645813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).