2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine

C45H31N3O — CID 167184052

IUPAC2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
SMILESC1=CC2Oc3cc(-c4ccc(-c5ccccc5)cc4)ccc3C2C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)=C1
InChIInChI=1S/C45H31N3O/c1-4-11-30(12-5-1)32-19-21-34(22-20-32)37-27-28-38-41(29-37)49-40-18-10-17-39(42(38)40)45-47-43(35-15-8-3-9-16-35)46-44(48-45)36-25-23-33(24-26-36)31-13-6-2-7-14-31/h1-29,40,42H
InChIKeyZKKCYHAOEYOMDQ-UHFFFAOYSA-N
MW629.76 g/mol
LogP10.70
Rot. Bonds6

About 2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine

2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 167184052) has the molecular formula C45H31N3O and a molecular weight of 629.76 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
PubChem CID167184052
Molecular FormulaC45H31N3O
Molecular Weight629.76 g/mol
Exact Mass629.25
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
SMILESC1=CC2Oc3cc(-c4ccc(-c5ccccc5)cc4)ccc3C2C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)=C1
InChIInChI=1S/C45H31N3O/c1-4-11-30(12-5-1)32-19-21-34(22-20-32)37-27-28-38-41(29-37)49-40-18-10-17-39(42(38)40)45-47-43(35-15-8-3-9-16-35)46-44(48-45)36-25-23-33(24-26-36)31-13-6-2-7-14-31/h1-29,40,42H
InChIKeyZKKCYHAOEYOMDQ-UHFFFAOYSA-N
XLogP10.70
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.76
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170424177
2-(8-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 170021922
2-dibenzothiophen-2-yl-4-(7-dibenzothiophen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170011885
2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170011216
2-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 167007927
2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166741609
2-naphthalen-1-yl-4-phenyl-6-[9-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 170007353
2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile
CID 168731978
2-dibenzothiophen-1-yl-4-(9-phenyl-5a,9a-dihydrodibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 142615286
4-[4-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1H-cyclopenta[b]indole
CID 166864733
9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-(4-cyclohexa-2,4-dien-1-ylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]-2-phenylcarbazole
CID 170282776
2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
CID 167007774

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine (CID 167184052) is 2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine is C1=CC2Oc3cc(-c4ccc(-c5ccccc5)cc4)ccc3C2C(c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)=C1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is ZKKCYHAOEYOMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3O/c1-4-11-30(12-5-1)32-19-21-34(22-20-32)37-27-28-38-41(29-37)49-40-18-10-17-39(42(38)40)45-47-43(35-15-8-3-9-16-35)46-44(48-45)36-25-23-33(24-26-36)31-13-6-2-7-14-31/h1-29,40,42H.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 629.76 g/mol, XLogP of 10.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 167184052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).