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

C55H37N3O2 — CID 163631665

IUPAC2-(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
SMILESc1ccc(-c2cccc(C3=NC(c4cccc(-c5ccccc5)c4)NC(c4cc5ccccc5c5oc6ccc(-c7ccc8c(c7)oc7ccccc78)cc6c45)N3)c2)cc1
InChIInChI=1S/C55H37N3O2/c1-3-13-34(14-4-1)36-18-11-20-41(29-36)53-56-54(42-21-12-19-37(30-42)35-15-5-2-6-16-35)58-55(57-53)47-32-40-17-7-8-22-43(40)52-51(47)46-31-38(26-28-49(46)60-52)39-25-27-45-44-23-9-10-24-48(44)59-50(45)33-39/h1-33,53,55,57H,(H,56,58)
InChIKeyHWPUBSVHTZVIRH-UHFFFAOYSA-N
MW771.92 g/mol
LogP13.98
Rot. Bonds6

About 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

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 (PubChem CID 163631665) has the molecular formula C55H37N3O2 and a molecular weight of 771.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID163631665
Molecular FormulaC55H37N3O2
Molecular Weight771.92 g/mol
Exact Mass771.29
IUPAC Name2-(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
SMILESc1ccc(-c2cccc(C3=NC(c4cccc(-c5ccccc5)c4)NC(c4cc5ccccc5c5oc6ccc(-c7ccc8c(c7)oc7ccccc78)cc6c45)N3)c2)cc1
InChIInChI=1S/C55H37N3O2/c1-3-13-34(14-4-1)36-18-11-20-41(29-36)53-56-54(42-21-12-19-37(30-42)35-15-5-2-6-16-35)58-55(57-53)47-32-40-17-7-8-22-43(40)52-51(47)46-31-38(26-28-49(46)60-52)39-25-27-45-44-23-9-10-24-48(44)59-50(45)33-39/h1-33,53,55,57H,(H,56,58)
InChIKeyHWPUBSVHTZVIRH-UHFFFAOYSA-N
XLogP13.98
TPSA62.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.92
LogP ≤ 513.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

4-dibenzofuran-4-yl-6-phenanthren-2-yl-2-(8-phenyldibenzofuran-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029951
2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167044791
6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167403396
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
2-[4-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 156553978
6-(8-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146541783
2-(3-naphtho[2,1-b][1]benzofuran-5-yldibenzofuran-1-yl)-6-phenanthren-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029886
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
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-[10-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenanthren-9-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099126
6-phenanthren-3-yl-4-phenyl-2-[2-(4-phenyldibenzofuran-1-yl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029700
6-(3,5-diphenylphenyl)-2-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167132650

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(C3=NC(c4cccc(-c5ccccc5)c4)NC(c4cc5ccccc5c5oc6ccc(-c7ccc8c(c7)oc7ccccc78)cc6c45)N3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is HWPUBSVHTZVIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3O2/c1-3-13-34(14-4-1)36-18-11-20-41(29-36)53-56-54(42-21-12-19-37(30-42)35-15-5-2-6-16-35)58-55(57-53)47-32-40-17-7-8-22-43(40)52-51(47)46-31-38(26-28-49(46)60-52)39-25-27-45-44-23-9-10-24-48(44)59-50(45)33-39/h1-33,53,55,57H,(H,56,58).
What are the key properties of 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?
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 has a molecular weight of 771.92 g/mol, XLogP of 13.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163631665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).