4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile

C62H38N4O — CID 174304337

IUPAC4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc3oc4cc(-c5nc(-c6ccccc6)nc(-c6cc(-c7ccccc7)c(-c7cccc(-c8ccccc8)c7)c(-c7ccccc7)c6)n5)ccc4c3c3ccccc23)cc1
InChIInChI=1S/C62H38N4O/c63-39-40-28-30-44(31-29-40)53-38-57-59(51-27-14-13-26-50(51)53)52-33-32-48(37-56(52)67-57)61-64-60(45-22-11-4-12-23-45)65-62(66-61)49-35-54(42-18-7-2-8-19-42)58(55(36-49)43-20-9-3-10-21-43)47-25-15-24-46(34-47)41-16-5-1-6-17-41/h1-38H
InChIKeyZYKMLVTUSWDMHA-UHFFFAOYSA-N
MW855.01 g/mol
LogP16.13
Rot. Bonds8

About 4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile

4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile (PubChem CID 174304337) has the molecular formula C62H38N4O and a molecular weight of 855.01 g/mol. Its IUPAC name is 4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile
PubChem CID174304337
Molecular FormulaC62H38N4O
Molecular Weight855.01 g/mol
Exact Mass854.30
IUPAC Name4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc3oc4cc(-c5nc(-c6ccccc6)nc(-c6cc(-c7ccccc7)c(-c7cccc(-c8ccccc8)c7)c(-c7ccccc7)c6)n5)ccc4c3c3ccccc23)cc1
InChIInChI=1S/C62H38N4O/c63-39-40-28-30-44(31-29-40)53-38-57-59(51-27-14-13-26-50(51)53)52-33-32-48(37-56(52)67-57)61-64-60(45-22-11-4-12-23-45)65-62(66-61)49-35-54(42-18-7-2-8-19-42)58(55(36-49)43-20-9-3-10-21-43)47-25-15-24-46(34-47)41-16-5-1-6-17-41/h1-38H
InChIKeyZYKMLVTUSWDMHA-UHFFFAOYSA-N
XLogP16.13
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.01
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile with MolForge

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Related Compounds

4-[4-[4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774590
4-[4-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774820
3-[4-[4-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774633
2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 156558207
2-dibenzofuran-3-yl-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 147701986
3-[4-[4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774923
4-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]chrysen-6-yl]benzonitrile
CID 167057075
4-[4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 169048828
5-[4-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile
CID 168774671
3-[3-[4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774860
4-[4-[12-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]chrysen-6-yl]naphthalen-1-yl]benzonitrile
CID 167057147
4-[12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]chrysen-6-yl]benzonitrile
CID 167057072

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile?
The IUPAC name of 4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile (CID 174304337) is 4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile.
What is the SMILES notation for 4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile?
The canonical SMILES for 4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile is N#Cc1ccc(-c2cc3oc4cc(-c5nc(-c6ccccc6)nc(-c6cc(-c7ccccc7)c(-c7cccc(-c8ccccc8)c7)c(-c7ccccc7)c6)n5)ccc4c3c3ccccc23)cc1.
What is the InChIKey of 4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile?
The InChIKey is ZYKMLVTUSWDMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4O/c63-39-40-28-30-44(31-29-40)53-38-57-59(51-27-14-13-26-50(51)53)52-33-32-48(37-56(52)67-57)61-64-60(45-22-11-4-12-23-45)65-62(66-61)49-35-54(42-18-7-2-8-19-42)58(55(36-49)43-20-9-3-10-21-43)47-25-15-24-46(34-47)41-16-5-1-6-17-41/h1-38H.
What are the key properties of 4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile?
4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile has a molecular weight of 855.01 g/mol, XLogP of 16.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4-[3,5-diphenyl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzonitrile is sourced from PubChem (CID 174304337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).