2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine

C42H26N6O — CID 122675631

IUPAC2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c4c3)n2)cc1
InChIInChI=1S/C42H26N6O/c1-5-13-27(14-6-1)37-43-38(28-15-7-2-8-16-28)46-41(45-37)31-21-23-35-33(25-31)34-26-32(22-24-36(34)49-35)42-47-39(29-17-9-3-10-18-29)44-40(48-42)30-19-11-4-12-20-30/h1-26H
InChIKeyMFMBMGCISLTTEB-UHFFFAOYSA-N
MW630.71 g/mol
LogP9.96
Rot. Bonds6

About 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine

2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 122675631) has the molecular formula C42H26N6O and a molecular weight of 630.71 g/mol. Its IUPAC name is 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID122675631
Molecular FormulaC42H26N6O
Molecular Weight630.71 g/mol
Exact Mass630.22
IUPAC Name2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c4c3)n2)cc1
InChIInChI=1S/C42H26N6O/c1-5-13-27(14-6-1)37-43-38(28-15-7-2-8-16-28)46-41(45-37)31-21-23-35-33(25-31)34-26-32(22-24-36(34)49-35)42-47-39(29-17-9-3-10-18-29)44-40(48-42)30-19-11-4-12-20-30/h1-26H
InChIKeyMFMBMGCISLTTEB-UHFFFAOYSA-N
XLogP9.96
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.71
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 122675631) is 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c4c3)n2)cc1.
What is the InChIKey of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is MFMBMGCISLTTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N6O/c1-5-13-27(14-6-1)37-43-38(28-15-7-2-8-16-28)46-41(45-37)31-21-23-35-33(25-31)34-26-32(22-24-36(34)49-35)42-47-39(29-17-9-3-10-18-29)44-40(48-42)30-19-11-4-12-20-30/h1-26H.
What are the key properties of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 630.71 g/mol, XLogP of 9.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 122675631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).