2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine

C50H31N3O2S — CID 170423951

IUPAC2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
SMILESCOc1cccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4sc4ccccc45)n3)c3c(c2)oc2ccccc23)c1-c1ccccc1
InChIInChI=1S/C50H31N3O2S/c1-54-42-23-12-19-35(45(42)31-14-3-2-4-15-31)34-28-40(46-38-18-7-9-22-41(38)55-43(46)29-34)50-52-48(33-26-25-30-13-5-6-16-32(30)27-33)51-49(53-50)39-21-11-20-37-36-17-8-10-24-44(36)56-47(37)39/h2-29H,1H3
InChIKeyUXZQRLVRDHDAEZ-UHFFFAOYSA-N
MW737.88 g/mol
LogP13.64
Rot. Bonds6

About 2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine

2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 170423951) has the molecular formula C50H31N3O2S and a molecular weight of 737.88 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID170423951
Molecular FormulaC50H31N3O2S
Molecular Weight737.88 g/mol
Exact Mass737.21
IUPAC Name2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
SMILESCOc1cccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4sc4ccccc45)n3)c3c(c2)oc2ccccc23)c1-c1ccccc1
InChIInChI=1S/C50H31N3O2S/c1-54-42-23-12-19-35(45(42)31-14-3-2-4-15-31)34-28-40(46-38-18-7-9-22-41(38)55-43(46)29-34)50-52-48(33-26-25-30-13-5-6-16-32(30)27-33)51-49(53-50)39-21-11-20-37-36-17-8-10-24-44(36)56-47(37)39/h2-29H,1H3
InChIKeyUXZQRLVRDHDAEZ-UHFFFAOYSA-N
XLogP13.64
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.88
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301891
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259797
2-(4-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743049
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743482
7-dibenzothiophen-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 168785019
2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259541
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166741703
2-dibenzothiophen-1-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741653
2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742327
2-(4-dibenzothiophen-4-ylphenyl)-4-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 139549050
2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-[4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 170141313
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177119517

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine (CID 170423951) is 2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine is COc1cccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4sc4ccccc45)n3)c3c(c2)oc2ccccc23)c1-c1ccccc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is UXZQRLVRDHDAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O2S/c1-54-42-23-12-19-35(45(42)31-14-3-2-4-15-31)34-28-40(46-38-18-7-9-22-41(38)55-43(46)29-34)50-52-48(33-26-25-30-13-5-6-16-32(30)27-33)51-49(53-50)39-21-11-20-37-36-17-8-10-24-44(36)56-47(37)39/h2-29H,1H3.
What are the key properties of 2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 737.88 g/mol, XLogP of 13.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-[3-(3-methoxy-2-phenylphenyl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 170423951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).