2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C51H31N3O2 — CID 155377329

IUPAC2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4cccc(-c6cccc7c6oc6ccccc67)c45)n3)cc2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-11-32(12-4-1)34-21-25-36(26-22-34)49-52-50(37-27-23-35(24-28-37)33-13-5-2-6-14-33)54-51(53-49)38-29-30-43-46(31-38)55-45-20-10-16-40(47(43)45)42-18-9-17-41-39-15-7-8-19-44(39)56-48(41)42/h1-31H
InChIKeyIWPKSKADQQKNIE-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

About 2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 155377329) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID155377329
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4cccc(-c6cccc7c6oc6ccccc67)c45)n3)cc2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-11-32(12-4-1)34-21-25-36(26-22-34)49-52-50(37-27-23-35(24-28-37)33-13-5-2-6-14-33)54-51(53-49)38-29-30-43-46(31-38)55-45-20-10-16-40(47(43)45)42-18-9-17-41-39-15-7-8-19-44(39)56-48(41)42/h1-31H
InChIKeyIWPKSKADQQKNIE-UHFFFAOYSA-N
XLogP13.67
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[9-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 170192844
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378467
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078432
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952829
2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850281
2-[7-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176773450
2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 163803934
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155603269
2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377164
2-dibenzofuran-3-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166952205

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 155377329) is 2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4cccc(-c6cccc7c6oc6ccccc67)c45)n3)cc2)cc1.
What is the InChIKey of 2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is IWPKSKADQQKNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-3-11-32(12-4-1)34-21-25-36(26-22-34)49-52-50(37-27-23-35(24-28-37)33-13-5-2-6-14-33)54-51(53-49)38-29-30-43-46(31-38)55-45-20-10-16-40(47(43)45)42-18-9-17-41-39-15-7-8-19-44(39)56-48(41)42/h1-31H.
What are the key properties of 2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 717.83 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155377329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).