4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile

C74H46N8 — CID 155476468

IUPAC4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccc(-c%11ccc(C#N)cc%11)cc%10)cc9)n8)cc7)cc6)n5)cc4)cc3)cc2)cc1
InChIInChI=1S/C74H46N8/c75-47-49-11-15-51(16-12-49)53-19-23-55(24-20-53)56-27-29-58(30-28-56)60-33-41-66(42-34-60)72-78-70(64-9-5-2-6-10-64)80-74(82-72)68-45-37-62(38-46-68)61-35-43-67(44-36-61)73-79-69(63-7-3-1-4-8-63)77-71(81-73)65-39-31-59(32-40-65)57-25-21-54(22-26-57)52-17-13-50(48-76)14-18-52/h1-46H
InChIKeyORAWKIMYIPTNKU-UHFFFAOYSA-N
MW1047.24 g/mol
LogP17.80
Rot. Bonds12

About 4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile

4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile (PubChem CID 155476468) has the molecular formula C74H46N8 and a molecular weight of 1047.24 g/mol. Its IUPAC name is 4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
PubChem CID155476468
Molecular FormulaC74H46N8
Molecular Weight1047.24 g/mol
Exact Mass1046.38
IUPAC Name4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccc(-c%11ccc(C#N)cc%11)cc%10)cc9)n8)cc7)cc6)n5)cc4)cc3)cc2)cc1
InChIInChI=1S/C74H46N8/c75-47-49-11-15-51(16-12-49)53-19-23-55(24-20-53)56-27-29-58(30-28-56)60-33-41-66(42-34-60)72-78-70(64-9-5-2-6-10-64)80-74(82-72)68-45-37-62(38-46-68)61-35-43-67(44-36-61)73-79-69(63-7-3-1-4-8-63)77-71(81-73)65-39-31-59(32-40-65)57-25-21-54(22-26-57)52-17-13-50(48-76)14-18-52/h1-46H
InChIKeyORAWKIMYIPTNKU-UHFFFAOYSA-N
XLogP17.80
TPSA124.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.24
LogP ≤ 517.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile (CID 155476468) is 4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccc(-c%10ccc(-c%11ccc(C#N)cc%11)cc%10)cc9)n8)cc7)cc6)n5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile?
The InChIKey is ORAWKIMYIPTNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N8/c75-47-49-11-15-51(16-12-49)53-19-23-55(24-20-53)56-27-29-58(30-28-56)60-33-41-66(42-34-60)72-78-70(64-9-5-2-6-10-64)80-74(82-72)68-45-37-62(38-46-68)61-35-43-67(44-36-61)73-79-69(63-7-3-1-4-8-63)77-71(81-73)65-39-31-59(32-40-65)57-25-21-54(22-26-57)52-17-13-50(48-76)14-18-52/h1-46H.
What are the key properties of 4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile?
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile has a molecular weight of 1047.24 g/mol, XLogP of 17.80, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile is sourced from PubChem (CID 155476468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).