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

C47H29N3O — CID 166867460

IUPAC2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccccc5)c5c4oc4cc6ccccc6cc45)cc3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-12-31(13-4-1)39-25-26-40(44-43(39)41-28-36-17-9-10-18-37(36)29-42(41)51-44)32-20-22-34(23-21-32)46-48-45(33-14-5-2-6-15-33)49-47(50-46)38-24-19-30-11-7-8-16-35(30)27-38/h1-29H
InChIKeyYCOMPSMMQOEOTF-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

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

2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine (PubChem CID 166867460) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine
PubChem CID166867460
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccccc5)c5c4oc4cc6ccccc6cc45)cc3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-12-31(13-4-1)39-25-26-40(44-43(39)41-28-36-17-9-10-18-37(36)29-42(41)51-44)32-20-22-34(23-21-32)46-48-45(33-14-5-2-6-15-33)49-47(50-46)38-24-19-30-11-7-8-16-35(30)27-38/h1-29H
InChIKeyYCOMPSMMQOEOTF-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-naphthalen-2-yl-4-phenyl-6-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 174245007
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 165026780
2-dibenzofuran-2-yl-4-[4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164969242
2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 171754779
2-phenyl-4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165043590
2,4-dinaphthalen-2-yl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 164991903
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 171755430
2-[4-[1-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 169294627
2-chrysen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 167403122
2-[1-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]-4,6-diphenylpyrimidine
CID 169294610
2,4-bis(4-phenylphenyl)-6-[4-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 163672601
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine (CID 166867460) is 2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccccc5)c5c4oc4cc6ccccc6cc45)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine?
The InChIKey is YCOMPSMMQOEOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-12-31(13-4-1)39-25-26-40(44-43(39)41-28-36-17-9-10-18-37(36)29-42(41)51-44)32-20-22-34(23-21-32)46-48-45(33-14-5-2-6-15-33)49-47(50-46)38-24-19-30-11-7-8-16-35(30)27-38/h1-29H.
What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine?
2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-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-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 166867460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).