2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine

C40H27N3O2 — CID 170127951

IUPAC2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine
SMILESCC1CC=CC=C1c1nc(-c2ccccc2)nc(-c2cccc3oc4c(-c5ccc6oc7ccccc7c6c5)cccc4c23)n1
InChIInChI=1S/C40H27N3O2/c1-24-11-5-6-14-27(24)39-41-38(25-12-3-2-4-13-25)42-40(43-39)31-18-10-20-35-36(31)30-17-9-16-28(37(30)45-35)26-21-22-34-32(23-26)29-15-7-8-19-33(29)44-34/h2-10,12-24H,11H2,1H3
InChIKeyPHAHYWNTBMLJPB-UHFFFAOYSA-N
MW581.68 g/mol
LogP10.65
Rot. Bonds4

About 2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine

2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170127951) has the molecular formula C40H27N3O2 and a molecular weight of 581.68 g/mol. Its IUPAC name is 2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID170127951
Molecular FormulaC40H27N3O2
Molecular Weight581.68 g/mol
Exact Mass581.21
IUPAC Name2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine
SMILESCC1CC=CC=C1c1nc(-c2ccccc2)nc(-c2cccc3oc4c(-c5ccc6oc7ccccc7c6c5)cccc4c23)n1
InChIInChI=1S/C40H27N3O2/c1-24-11-5-6-14-27(24)39-41-38(25-12-3-2-4-13-25)42-40(43-39)31-18-10-20-35-36(31)30-17-9-16-28(37(30)45-35)26-21-22-34-32(23-26)29-15-7-8-19-33(29)44-34/h2-10,12-24H,11H2,1H3
InChIKeyPHAHYWNTBMLJPB-UHFFFAOYSA-N
XLogP10.65
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.68
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569
2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 170133231
2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 148688171
2-[8-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 146431714
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 134199171
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-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
2-(2-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402367
2-dibenzofuran-1-yl-4-(5-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731953
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808483

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine (CID 170127951) is 2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine is CC1CC=CC=C1c1nc(-c2ccccc2)nc(-c2cccc3oc4c(-c5ccc6oc7ccccc7c6c5)cccc4c23)n1.
What is the InChIKey of 2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is PHAHYWNTBMLJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3O2/c1-24-11-5-6-14-27(24)39-41-38(25-12-3-2-4-13-25)42-40(43-39)31-18-10-20-35-36(31)30-17-9-16-28(37(30)45-35)26-21-22-34-32(23-26)29-15-7-8-19-33(29)44-34/h2-10,12-24H,11H2,1H3.
What are the key properties of 2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine?
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 581.68 g/mol, XLogP of 10.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170127951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).