2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile

C66H38N8O2 — CID 163742751

IUPAC2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5C#N)cc4N4c5ccccc5Oc5ccccc54)nc(-c4ccc(-c5ccccc5C#N)cc4N4c5ccccc5Oc5ccccc54)n3)cc2)c1
InChIInChI=1S/C66H38N8O2/c67-39-42-14-13-17-45(36-42)43-28-30-44(31-29-43)64-70-65(52-34-32-46(50-18-3-1-15-48(50)40-68)37-58(52)73-54-20-5-9-24-60(54)75-61-25-10-6-21-55(61)73)72-66(71-64)53-35-33-47(51-19-4-2-16-49(51)41-69)38-59(53)74-56-22-7-11-26-62(56)76-63-27-12-8-23-57(63)74/h1-38H
InChIKeyLJEWHHDJZVEMQM-UHFFFAOYSA-N
MW975.08 g/mol
LogP16.64
Rot. Bonds8

About 2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile

2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile (PubChem CID 163742751) has the molecular formula C66H38N8O2 and a molecular weight of 975.08 g/mol. Its IUPAC name is 2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile
PubChem CID163742751
Molecular FormulaC66H38N8O2
Molecular Weight975.08 g/mol
Exact Mass974.31
IUPAC Name2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5C#N)cc4N4c5ccccc5Oc5ccccc54)nc(-c4ccc(-c5ccccc5C#N)cc4N4c5ccccc5Oc5ccccc54)n3)cc2)c1
InChIInChI=1S/C66H38N8O2/c67-39-42-14-13-17-45(36-42)43-28-30-44(31-29-43)64-70-65(52-34-32-46(50-18-3-1-15-48(50)40-68)37-58(52)73-54-20-5-9-24-60(54)75-61-25-10-6-21-55(61)73)72-66(71-64)53-35-33-47(51-19-4-2-16-49(51)41-69)38-59(53)74-56-22-7-11-26-62(56)76-63-27-12-8-23-57(63)74/h1-38H
InChIKeyLJEWHHDJZVEMQM-UHFFFAOYSA-N
XLogP16.64
TPSA134.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.08
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile with MolForge

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Related Compounds

3-[3-[4,6-bis[4-(3-cyanophenyl)-2-phenoxazin-10-ylphenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170133824
2-[4-[4,6-bis[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035747
3-[3-(2-phenoxazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543305
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;3-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 159152181
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(10-phenylphenazin-5-yl)phenyl]-6-(10-phenylphenazin-5-yl)benzonitrile
CID 169060022
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]benzonitrile
CID 169297169
3-[3-[4-phenyl-6-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174364340
2-[3-(2-phenoxazin-10-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146542742
3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134317943
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317879
2-[7-[6-[4-[3-[4-[7-(2-cyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
CID 167177280
2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 170664965

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile?
The IUPAC name of 2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile (CID 163742751) is 2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile.
What is the SMILES notation for 2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile?
The canonical SMILES for 2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile is N#Cc1cccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5C#N)cc4N4c5ccccc5Oc5ccccc54)nc(-c4ccc(-c5ccccc5C#N)cc4N4c5ccccc5Oc5ccccc54)n3)cc2)c1.
What is the InChIKey of 2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile?
The InChIKey is LJEWHHDJZVEMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N8O2/c67-39-42-14-13-17-45(36-42)43-28-30-44(31-29-43)64-70-65(52-34-32-46(50-18-3-1-15-48(50)40-68)37-58(52)73-54-20-5-9-24-60(54)75-61-25-10-6-21-55(61)73)72-66(71-64)53-35-33-47(51-19-4-2-16-49(51)41-69)38-59(53)74-56-22-7-11-26-62(56)76-63-27-12-8-23-57(63)74/h1-38H.
What are the key properties of 2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile?
2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile has a molecular weight of 975.08 g/mol, XLogP of 16.64, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(2-cyanophenyl)-2-phenoxazin-10-ylphenyl]-6-[4-(3-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-3-phenoxazin-10-ylphenyl]benzonitrile is sourced from PubChem (CID 163742751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).