2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine

C53H29N3O2S — CID 174198311

IUPAC2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine
SMILESc1cc(-c2cccc3oc4ccccc4c23)c2ccc(-c3nc(-c4ccc5cc6c(cc5c4)oc4ccccc46)nc(-c4cccc5sc6ccccc6c45)n3)cc2c1
InChIInChI=1S/C53H29N3O2S/c1-4-17-43-37(11-1)42-28-30-22-23-32(27-34(30)29-46(42)58-43)51-54-52(56-53(55-51)41-16-9-21-48-50(41)40-13-3-6-20-47(40)59-48)33-24-25-35-31(26-33)10-7-14-36(35)38-15-8-19-45-49(38)39-12-2-5-18-44(39)57-45/h1-29H
InChIKeyHPRQIIVLKKBTSA-UHFFFAOYSA-N
MW771.90 g/mol
LogP15.01
Rot. Bonds4

About 2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine

2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine (PubChem CID 174198311) has the molecular formula C53H29N3O2S and a molecular weight of 771.90 g/mol. Its IUPAC name is 2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine
PubChem CID174198311
Molecular FormulaC53H29N3O2S
Molecular Weight771.90 g/mol
Exact Mass771.20
IUPAC Name2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine
SMILESc1cc(-c2cccc3oc4ccccc4c23)c2ccc(-c3nc(-c4ccc5cc6c(cc5c4)oc4ccccc46)nc(-c4cccc5sc6ccccc6c45)n3)cc2c1
InChIInChI=1S/C53H29N3O2S/c1-4-17-43-37(11-1)42-28-30-22-23-32(27-34(30)29-46(42)58-43)51-54-52(56-53(55-51)41-16-9-21-48-50(41)40-13-3-6-20-47(40)59-48)33-24-25-35-31(26-33)10-7-14-36(35)38-15-8-19-45-49(38)39-12-2-5-18-44(39)57-45/h1-29H
InChIKeyHPRQIIVLKKBTSA-UHFFFAOYSA-N
XLogP15.01
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.90
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(4-naphtho[3,2-b][1]benzofuran-8-ylphenyl)-1,3,5-triazine
CID 174198570
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 163479356
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743486
2-dibenzofuran-4-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166741560
2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine
CID 174198298
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 174198624
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741718
2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174198497
2-dibenzofuran-1-yl-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174198496
2-naphtho[3,2-b][1]benzofuran-8-yl-4-phenanthren-9-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 174198668
2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 174198592
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163727437

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine?
The IUPAC name of 2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine (CID 174198311) is 2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine.
What is the SMILES notation for 2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine?
The canonical SMILES for 2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine is c1cc(-c2cccc3oc4ccccc4c23)c2ccc(-c3nc(-c4ccc5cc6c(cc5c4)oc4ccccc46)nc(-c4cccc5sc6ccccc6c45)n3)cc2c1.
What is the InChIKey of 2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine?
The InChIKey is HPRQIIVLKKBTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H29N3O2S/c1-4-17-43-37(11-1)42-28-30-22-23-32(27-34(30)29-46(42)58-43)51-54-52(56-53(55-51)41-16-9-21-48-50(41)40-13-3-6-20-47(40)59-48)33-24-25-35-31(26-33)10-7-14-36(35)38-15-8-19-45-49(38)39-12-2-5-18-44(39)57-45/h1-29H.
What are the key properties of 2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine?
2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine has a molecular weight of 771.90 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine is sourced from PubChem (CID 174198311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).