2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C49H29N3O2 — CID 176818616

IUPAC2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cc5c6cccc(-c7ccccc7)c6oc5c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C49H29N3O2/c1-3-12-30(13-4-1)31-22-24-33(25-23-31)47-50-48(34-26-27-44-40(28-34)37-17-9-10-21-43(37)53-44)52-49(51-47)42-29-41-39-20-11-19-35(32-14-5-2-6-15-32)45(39)54-46(41)38-18-8-7-16-36(38)42/h1-29H
InChIKeyPJFMHEJXNNVEGG-UHFFFAOYSA-N
MW691.79 g/mol
LogP13.16
Rot. Bonds5

About 2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 176818616) has the molecular formula C49H29N3O2 and a molecular weight of 691.79 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID176818616
Molecular FormulaC49H29N3O2
Molecular Weight691.79 g/mol
Exact Mass691.23
IUPAC Name2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cc5c6cccc(-c7ccccc7)c6oc5c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C49H29N3O2/c1-3-12-30(13-4-1)31-22-24-33(25-23-31)47-50-48(34-26-27-44-40(28-34)37-17-9-10-21-43(37)53-44)52-49(51-47)42-29-41-39-20-11-19-35(32-14-5-2-6-15-32)45(39)54-46(41)38-18-8-7-16-36(38)42/h1-29H
InChIKeyPJFMHEJXNNVEGG-UHFFFAOYSA-N
XLogP13.16
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.79
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817768
2-dibenzofuran-4-yl-4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853479
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176817618
2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167403415
2-phenyl-4-[6-(4-phenylphenyl)dibenzofuran-2-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797229
2-phenyl-4-[4-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850254
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-(6-phenyldibenzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164999479
2,4-diphenyl-6-[4-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834775
2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143605
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
2-dibenzofuran-2-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853489
2-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 176818616) is 2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cc5c6cccc(-c7ccccc7)c6oc5c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is PJFMHEJXNNVEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2/c1-3-12-30(13-4-1)31-22-24-33(25-23-31)47-50-48(34-26-27-44-40(28-34)37-17-9-10-21-43(37)53-44)52-49(51-47)42-29-41-39-20-11-19-35(32-14-5-2-6-15-32)45(39)54-46(41)38-18-8-7-16-36(38)42/h1-29H.
What are the key properties of 2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 691.79 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176818616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).