2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C45H29N3O2S — CID 167044791

IUPAC2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3ccc4c(c3)sc3ccccc34)NC(c3cccc4c3oc3ccc(-c5ccc6c(c5)oc5ccccc56)cc34)N2)cc1
InChIInChI=1S/C45H29N3O2S/c1-2-9-26(10-3-1)43-46-44(29-18-21-33-32-12-5-7-16-40(32)51-41(33)25-29)48-45(47-43)35-14-8-13-34-36-23-27(19-22-38(36)50-42(34)35)28-17-20-31-30-11-4-6-15-37(30)49-39(31)24-28/h1-25,43,45,47H,(H,46,48)
InChIKeyHUUNKQPZCMVJPL-UHFFFAOYSA-N
MW675.81 g/mol
LogP11.86
Rot. Bonds4

About 2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 167044791) has the molecular formula C45H29N3O2S and a molecular weight of 675.81 g/mol. Its IUPAC name is 2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID167044791
Molecular FormulaC45H29N3O2S
Molecular Weight675.81 g/mol
Exact Mass675.20
IUPAC Name2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3ccc4c(c3)sc3ccccc34)NC(c3cccc4c3oc3ccc(-c5ccc6c(c5)oc5ccccc56)cc34)N2)cc1
InChIInChI=1S/C45H29N3O2S/c1-2-9-26(10-3-1)43-46-44(29-18-21-33-32-12-5-7-16-40(32)51-41(33)25-29)48-45(47-43)35-14-8-13-34-36-23-27(19-22-38(36)50-42(34)35)28-17-20-31-30-11-4-6-15-37(30)49-39(31)24-28/h1-25,43,45,47H,(H,46,48)
InChIKeyHUUNKQPZCMVJPL-UHFFFAOYSA-N
XLogP11.86
TPSA62.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.81
LogP ≤ 511.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-4-yl-6-(7-dibenzothiophen-4-yldibenzofuran-2-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146541771
2-dibenzofuran-4-yl-6-(7-dibenzofuran-4-yldibenzothiophen-2-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 149480097
6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146541783
6-dibenzothiophen-3-yl-2-[8-(1,2-dihydrodibenzofuran-1-yl)dibenzofuran-4-yl]-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146542377
9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 166961997
4-dibenzofuran-3-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163881109
9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole
CID 163636411
2-(8-dibenzofuran-3-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163631665
2-(8-dibenzofuran-2-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinane
CID 146541786
12-[3-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166961184
4-dibenzothiophen-3-yl-2-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029334
4-dibenzofuran-4-yl-6-phenanthren-2-yl-2-(8-phenyldibenzofuran-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029951

Frequently Asked Questions

What is the IUPAC name of 2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 167044791) is 2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2N=C(c3ccc4c(c3)sc3ccccc34)NC(c3cccc4c3oc3ccc(-c5ccc6c(c5)oc5ccccc56)cc34)N2)cc1.
What is the InChIKey of 2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is HUUNKQPZCMVJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O2S/c1-2-9-26(10-3-1)43-46-44(29-18-21-33-32-12-5-7-16-40(32)51-41(33)25-29)48-45(47-43)35-14-8-13-34-36-23-27(19-22-38(36)50-42(34)35)28-17-20-31-30-11-4-6-15-37(30)49-39(31)24-28/h1-25,43,45,47H,(H,46,48).
What are the key properties of 2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 675.81 g/mol, XLogP of 11.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 167044791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).