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

C45H27N3O — CID 165026780

IUPAC2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C45H27N3O/c1-2-12-30(13-3-1)37-22-23-38(41-39-26-33-16-8-9-17-34(33)27-40(39)49-42(37)41)45-47-43(35-20-18-28-10-4-6-14-31(28)24-35)46-44(48-45)36-21-19-29-11-5-7-15-32(29)25-36/h1-27H
InChIKeyNIFJPANFUDEODA-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

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

2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine (PubChem CID 165026780) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
PubChem CID165026780
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c3c2oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C45H27N3O/c1-2-12-30(13-3-1)37-22-23-38(41-39-26-33-16-8-9-17-34(33)27-40(39)49-42(37)41)45-47-43(35-20-18-28-10-4-6-14-31(28)24-35)46-44(48-45)36-21-19-29-11-5-7-15-32(29)25-36/h1-27H
InChIKeyNIFJPANFUDEODA-UHFFFAOYSA-N
XLogP11.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-naphthalen-2-yl-4-phenyl-6-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 174245007
2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine
CID 166867460
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-phenyl-4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165043590
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
2-chrysen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 167403122
2,4-bis(4-phenylphenyl)-6-[4-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 163672601
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-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-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 164989697
2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine (CID 165026780) is 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c3c2oc2cc4ccccc4cc23)cc1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine?
The InChIKey is NIFJPANFUDEODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-12-30(13-3-1)37-22-23-38(41-39-26-33-16-8-9-17-34(33)27-40(39)49-42(37)41)45-47-43(35-20-18-28-10-4-6-14-31(28)24-35)46-44(48-45)36-21-19-29-11-5-7-15-32(29)25-36/h1-27H.
What are the key properties of 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine has a molecular weight of 625.73 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 165026780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).