4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine

C55H33N3O2S — CID 167029876

IUPAC4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4cccc5oc6cc(-c7ccc8c(c7)oc7ccccc78)ccc6c45)c4ccccc34)N=C(c3ccc4c(c3)sc3ccccc34)N2)cc1
InChIInChI=1S/C55H33N3O2S/c1-2-11-32(12-3-1)53-56-54(35-23-25-42-41-16-7-9-20-50(41)61-51(42)31-35)58-55(57-53)44-28-27-38(36-13-4-5-14-37(36)44)43-17-10-19-47-52(43)45-26-22-34(30-49(45)60-47)33-21-24-40-39-15-6-8-18-46(39)59-48(40)29-33/h1-31,55H,(H,56,57,58)
InChIKeyNGTALHITYMRDPZ-UHFFFAOYSA-N
MW799.96 g/mol
LogP14.84
Rot. Bonds5

About 4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine

4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 167029876) has the molecular formula C55H33N3O2S and a molecular weight of 799.96 g/mol. Its IUPAC name is 4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
PubChem CID167029876
Molecular FormulaC55H33N3O2S
Molecular Weight799.96 g/mol
Exact Mass799.23
IUPAC Name4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4cccc5oc6cc(-c7ccc8c(c7)oc7ccccc78)ccc6c45)c4ccccc34)N=C(c3ccc4c(c3)sc3ccccc34)N2)cc1
InChIInChI=1S/C55H33N3O2S/c1-2-11-32(12-3-1)53-56-54(35-23-25-42-41-16-7-9-20-50(41)61-51(42)31-35)58-55(57-53)44-28-27-38(36-13-4-5-14-37(36)44)43-17-10-19-47-52(43)45-26-22-34(30-49(45)60-47)33-21-24-40-39-15-6-8-18-46(39)59-48(40)29-33/h1-31,55H,(H,56,57,58)
InChIKeyNGTALHITYMRDPZ-UHFFFAOYSA-N
XLogP14.84
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.96
LogP ≤ 514.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-6-phenyl-4-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030326
2-dibenzothiophen-2-yl-4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 123716459
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170290246
2-dibenzofuran-3-yl-4-[9-(2-dibenzothiophen-3-ylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 170192548
2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167029928
2-dibenzothiophen-4-yl-6-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 167029654
2-dibenzothiophen-3-yl-6-phenyl-4-(6-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 146407770
2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine (CID 167029876) is 4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc(-c4cccc5oc6cc(-c7ccc8c(c7)oc7ccccc78)ccc6c45)c4ccccc34)N=C(c3ccc4c(c3)sc3ccccc34)N2)cc1.
What is the InChIKey of 4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is NGTALHITYMRDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O2S/c1-2-11-32(12-3-1)53-56-54(35-23-25-42-41-16-7-9-20-50(41)61-51(42)31-35)58-55(57-53)44-28-27-38(36-13-4-5-14-37(36)44)43-17-10-19-47-52(43)45-26-22-34(30-49(45)60-47)33-21-24-40-39-15-6-8-18-46(39)59-48(40)29-33/h1-31,55H,(H,56,57,58).
What are the key properties of 4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine?
4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 799.96 g/mol, XLogP of 14.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)naphthalen-1-yl]-2-dibenzothiophen-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 167029876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).