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

C47H29N3O — CID 171754207

IUPAC2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)c6c(c5)oc5cc7ccccc7cc56)n4)ccc3c2)cc1
InChIInChI=1S/C47H29N3O/c1-4-12-30(13-5-1)35-20-21-37-25-38(23-22-36(37)24-35)46-48-45(32-16-8-3-9-17-32)49-47(50-46)39-27-40(31-14-6-2-7-15-31)44-41-26-33-18-10-11-19-34(33)28-42(41)51-43(44)29-39/h1-29H
InChIKeyKQVPIYCQXGUFRW-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

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

2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine (PubChem CID 171754207) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
PubChem CID171754207
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)c6c(c5)oc5cc7ccccc7cc56)n4)ccc3c2)cc1
InChIInChI=1S/C47H29N3O/c1-4-12-30(13-5-1)35-20-21-37-25-38(23-22-36(37)24-35)46-48-45(32-16-8-3-9-17-32)49-47(50-46)39-27-40(31-14-6-2-7-15-31)44-41-26-33-18-10-11-19-34(33)28-42(41)51-43(44)29-39/h1-29H
InChIKeyKQVPIYCQXGUFRW-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

2,4-diphenyl-6-[1-(6-phenylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
CID 171757130
2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
CID 171757250
N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 167144570
2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167402160
2-(4-naphthalen-2-ylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 174259770
2-(3,5-diphenylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174259859
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline
CID 166502562
2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 171757229
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259678
2,4-dinaphthalen-1-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165088234
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 167402011
2-naphthalen-2-yl-4-(8-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316507

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine (CID 171754207) is 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine is c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)c6c(c5)oc5cc7ccccc7cc56)n4)ccc3c2)cc1.
What is the InChIKey of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine?
The InChIKey is KQVPIYCQXGUFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-4-12-30(13-5-1)35-20-21-37-25-38(23-22-36(37)24-35)46-48-45(32-16-8-3-9-17-32)49-47(50-46)39-27-40(31-14-6-2-7-15-31)44-41-26-33-18-10-11-19-34(33)28-42(41)51-43(44)29-39/h1-29H.
What are the key properties of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine?
2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-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-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 171754207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).