2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine

C47H29N3O — CID 170213625

IUPAC2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3-c3ccccc3)nc(-c3cccc4c3oc3c(-c5ccccc5)c5ccccc5cc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-4-16-31(17-5-1)41-35-23-12-10-15-30(35)27-28-38(41)46-48-45(33-20-8-3-9-21-33)49-47(50-46)39-26-14-25-37-40-29-34-22-11-13-24-36(34)42(44(40)51-43(37)39)32-18-6-2-7-19-32/h1-29H
InChIKeyZBLLHOSQPMLNFK-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine

2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine (PubChem CID 170213625) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
PubChem CID170213625
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3-c3ccccc3)nc(-c3cccc4c3oc3c(-c5ccccc5)c5ccccc5cc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-4-16-31(17-5-1)41-35-23-12-10-15-30(35)27-28-38(41)46-48-45(33-20-8-3-9-21-33)49-47(50-46)39-26-14-25-37-40-29-34-22-11-13-24-36(34)42(44(40)51-43(37)39)32-18-6-2-7-19-32/h1-29H
InChIKeyZBLLHOSQPMLNFK-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 170213532
2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine
CID 176755150
2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170212090
2,4-diphenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170213535
2-(6-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 170213533
2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170213573
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442228
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442227
2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 170211931
2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953235
2-chloro-4-phenyl-6-[7-[2-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 155096824
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139441852

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine (CID 170213625) is 2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccccc4c3-c3ccccc3)nc(-c3cccc4c3oc3c(-c5ccccc5)c5ccccc5cc34)n2)cc1.
What is the InChIKey of 2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine?
The InChIKey is ZBLLHOSQPMLNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-4-16-31(17-5-1)41-35-23-12-10-15-30(35)27-28-38(41)46-48-45(33-20-8-3-9-21-33)49-47(50-46)39-26-14-25-37-40-29-34-22-11-13-24-36(34)42(44(40)51-43(37)39)32-18-6-2-7-19-32/h1-29H.
What are the key properties of 2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine?
2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine is sourced from PubChem (CID 170213625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).