4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane

C46H33N3O3 — CID 146541713

IUPAC4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane
SMILESCN1C(c2ccccc2)NC(c2cccc3oc4ccccc4c23)NC1c1cccc2c1oc1c(-c3ccc4oc5ccccc5c4c3)cccc12
InChIInChI=1S/C46H33N3O3/c1-49-45(27-12-3-2-4-13-27)47-44(34-19-11-23-40-41(34)33-15-6-8-22-38(33)51-40)48-46(49)35-20-10-18-32-31-17-9-16-29(42(31)52-43(32)35)28-24-25-39-36(26-28)30-14-5-7-21-37(30)50-39/h2-26,44-48H,1H3
InChIKeyMAUUCMUUEUGEPG-UHFFFAOYSA-N
MW675.79 g/mol
LogP11.57
Rot. Bonds4

About 4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane

4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane (PubChem CID 146541713) has the molecular formula C46H33N3O3 and a molecular weight of 675.79 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane
PubChem CID146541713
Molecular FormulaC46H33N3O3
Molecular Weight675.79 g/mol
Exact Mass675.25
IUPAC Name4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane
SMILESCN1C(c2ccccc2)NC(c2cccc3oc4ccccc4c23)NC1c1cccc2c1oc1c(-c3ccc4oc5ccccc5c4c3)cccc12
InChIInChI=1S/C46H33N3O3/c1-49-45(27-12-3-2-4-13-27)47-44(34-19-11-23-40-41(34)33-15-6-8-22-38(33)51-40)48-46(49)35-20-10-18-32-31-17-9-16-29(42(31)52-43(32)35)28-24-25-39-36(26-28)30-14-5-7-21-37(30)50-39/h2-26,44-48H,1H3
InChIKeyMAUUCMUUEUGEPG-UHFFFAOYSA-N
XLogP11.57
TPSA66.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.79
LogP ≤ 511.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541695
2-dibenzothiophen-2-yl-6-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-1-methyl-4-phenyl-1,3,5-triazinane
CID 167044941
2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541694
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 148787787
2-dibenzofuran-3-yl-4-(8-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541826
2-(8-dibenzofuran-4-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinane
CID 146541811
9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole
CID 166962294
2-(6-dibenzofuran-3-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinane
CID 146542356
2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane
CID 171597125
2-dibenzofuran-1-yl-4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541780
2-(8-dibenzofuran-4-yldibenzofuran-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazinane
CID 146542068
2-(8-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazinane
CID 146542433

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane?
The IUPAC name of 4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane (CID 146541713) is 4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane.
What is the SMILES notation for 4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane?
The canonical SMILES for 4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane is CN1C(c2ccccc2)NC(c2cccc3oc4ccccc4c23)NC1c1cccc2c1oc1c(-c3ccc4oc5ccccc5c4c3)cccc12.
What is the InChIKey of 4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane?
The InChIKey is MAUUCMUUEUGEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3O3/c1-49-45(27-12-3-2-4-13-27)47-44(34-19-11-23-40-41(34)33-15-6-8-22-38(33)51-40)48-46(49)35-20-10-18-32-31-17-9-16-29(42(31)52-43(32)35)28-24-25-39-36(26-28)30-14-5-7-21-37(30)50-39/h2-26,44-48H,1H3.
What are the key properties of 4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane?
4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane has a molecular weight of 675.79 g/mol, XLogP of 11.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-2-(6-dibenzofuran-2-yldibenzofuran-4-yl)-1-methyl-6-phenyl-1,3,5-triazinane is sourced from PubChem (CID 146541713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).