9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile

C73H39N11 — CID 138570297

IUPAC9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3-n3c4ccccc4c4cc(C#N)ccc43)n2)c(-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C73H39N11/c74-40-44-22-30-65-57(34-44)51-14-4-8-18-61(51)81(65)49-26-28-55(69(38-49)83-63-20-10-6-16-53(63)59-36-46(42-76)24-32-67(59)83)72-78-71(48-12-2-1-3-13-48)79-73(80-72)56-29-27-50(82-62-19-9-5-15-52(62)58-35-45(41-75)23-31-66(58)82)39-70(56)84-64-21-11-7-17-54(64)60-37-47(43-77)25-33-68(60)84/h1-39H
InChIKeyYXFZOWZWAQFKGZ-UHFFFAOYSA-N
MW1070.19 g/mol
LogP16.75
Rot. Bonds7

About 9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile

9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile (PubChem CID 138570297) has the molecular formula C73H39N11 and a molecular weight of 1070.19 g/mol. Its IUPAC name is 9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
PubChem CID138570297
Molecular FormulaC73H39N11
Molecular Weight1070.19 g/mol
Exact Mass1069.34
IUPAC Name9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3-n3c4ccccc4c4cc(C#N)ccc43)n2)c(-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C73H39N11/c74-40-44-22-30-65-57(34-44)51-14-4-8-18-61(51)81(65)49-26-28-55(69(38-49)83-63-20-10-6-16-53(63)59-36-46(42-76)24-32-67(59)83)72-78-71(48-12-2-1-3-13-48)79-73(80-72)56-29-27-50(82-62-19-9-5-15-52(62)58-35-45(41-75)23-31-66(58)82)39-70(56)84-64-21-11-7-17-54(64)60-37-47(43-77)25-33-68(60)84/h1-39H
InChIKeyYXFZOWZWAQFKGZ-UHFFFAOYSA-N
XLogP16.75
TPSA153.55 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001070.19
LogP ≤ 516.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile with MolForge

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Related Compounds

3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476143
3-(3-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 142533865
9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 134508127
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylcarbazol-9-yl)benzonitrile
CID 134476139
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile
CID 138549714
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
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
9-[4-[3-[4-(3,6-dicyanocarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 166899538
2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321066
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414465
4-[4-[4,6-bis[4-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134170
9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 134513059

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile (CID 138570297) is 9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3-n3c4ccccc4c4cc(C#N)ccc43)n2)c(-n2c3ccccc3c3cc(C#N)ccc32)c1.
What is the InChIKey of 9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile?
The InChIKey is YXFZOWZWAQFKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H39N11/c74-40-44-22-30-65-57(34-44)51-14-4-8-18-61(51)81(65)49-26-28-55(69(38-49)83-63-20-10-6-16-53(63)59-36-46(42-76)24-32-67(59)83)72-78-71(48-12-2-1-3-13-48)79-73(80-72)56-29-27-50(82-62-19-9-5-15-52(62)58-35-45(41-75)23-31-66(58)82)39-70(56)84-64-21-11-7-17-54(64)60-37-47(43-77)25-33-68(60)84/h1-39H.
What are the key properties of 9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile?
9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile has a molecular weight of 1070.19 g/mol, XLogP of 16.75, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 138570297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).