2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine

C45H29N3O — CID 163625706

IUPAC2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5c(-c6ccccc6)cccc5-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/C45H29N3O/c1-5-16-30(17-6-1)34-24-13-25-35(31-18-7-2-8-19-31)40(34)38-28-14-26-36-37-27-15-29-39(42(37)49-41(36)38)45-47-43(32-20-9-3-10-21-32)46-44(48-45)33-22-11-4-12-23-33/h1-29H
InChIKeyHRVGMISWYRRQSR-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.77
Rot. Bonds6

About 2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine

2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 163625706) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID163625706
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5c(-c6ccccc6)cccc5-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/C45H29N3O/c1-5-16-30(17-6-1)34-24-13-25-35(31-18-7-2-8-19-31)40(34)38-28-14-26-36-37-27-15-29-39(42(37)49-41(36)38)45-47-43(32-20-9-3-10-21-32)46-44(48-45)33-22-11-4-12-23-33/h1-29H
InChIKeyHRVGMISWYRRQSR-UHFFFAOYSA-N
XLogP11.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
2-(6-naphthalen-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953235
2-chloro-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138505665
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
2-(1,6-diphenyldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 164838475
2,4-di(dibenzofuran-4-yl)-6-(2,3,4-triphenylphenyl)-1,3,5-triazine
CID 167349521
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-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
2,4-diphenyl-6-[6-(4-phenyldibenzofuran-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378330
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922
2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 176818567

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine (CID 163625706) is 2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5c(-c6ccccc6)cccc5-c5ccccc5)cccc34)n2)cc1.
What is the InChIKey of 2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is HRVGMISWYRRQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-5-16-30(17-6-1)34-24-13-25-35(31-18-7-2-8-19-31)40(34)38-28-14-26-36-37-27-15-29-39(42(37)49-41(36)38)45-47-43(32-20-9-3-10-21-32)46-44(48-45)33-22-11-4-12-23-33/h1-29H.
What are the key properties of 2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 627.75 g/mol, XLogP of 11.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-diphenylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 163625706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).