2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine

C51H31N3OS — CID 167029737

IUPAC2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=Cc2oc3cccc(-c4cccc5c4sc4cc6ccccc6cc45)c3c2C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C51H31N3OS/c1-3-12-32-26-36(24-22-30(32)10-1)49-52-50(37-25-23-31-11-2-4-13-33(31)27-37)54-51(53-49)41-19-9-21-44-47(41)46-38(16-8-20-43(46)55-44)39-17-7-18-40-42-28-34-14-5-6-15-35(34)29-45(42)56-48(39)40/h1-18,20-29,41H,19H2
InChIKeyRTWOMUOIGFMIPK-UHFFFAOYSA-N
MW733.90 g/mol
LogP14.00
Rot. Bonds4

About 2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine

2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 167029737) has the molecular formula C51H31N3OS and a molecular weight of 733.90 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine
PubChem CID167029737
Molecular FormulaC51H31N3OS
Molecular Weight733.90 g/mol
Exact Mass733.22
IUPAC Name2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=Cc2oc3cccc(-c4cccc5c4sc4cc6ccccc6cc45)c3c2C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C51H31N3OS/c1-3-12-32-26-36(24-22-30(32)10-1)49-52-50(37-25-23-31-11-2-4-13-33(31)27-37)54-51(53-49)41-19-9-21-44-47(41)46-38(16-8-20-43(46)55-44)39-17-7-18-40-42-28-34-14-5-6-15-35(34)29-45(42)56-48(39)40/h1-18,20-29,41H,19H2
InChIKeyRTWOMUOIGFMIPK-UHFFFAOYSA-N
XLogP14.00
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.90
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 170123504
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170145405
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
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166741703
2-(6-dibenzofuran-1-yldibenzothiophen-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377443
2-dibenzothiophen-4-yl-4-(7-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168744219
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzothiol-1-yl-1,3,5-triazine
CID 171737207
2-(4-dibenzothiophen-4-ylphenyl)-4-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 139549050
2-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 176773463
2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176773453
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazine
CID 170222893

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine (CID 167029737) is 2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine is C1=Cc2oc3cccc(-c4cccc5c4sc4cc6ccccc6cc45)c3c2C(c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)C1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is RTWOMUOIGFMIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3OS/c1-3-12-32-26-36(24-22-30(32)10-1)49-52-50(37-25-23-31-11-2-4-13-33(31)27-37)54-51(53-49)41-19-9-21-44-47(41)46-38(16-8-20-43(46)55-44)39-17-7-18-40-42-28-34-14-5-6-15-35(34)29-45(42)56-48(39)40/h1-18,20-29,41H,19H2.
What are the key properties of 2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 733.90 g/mol, XLogP of 14.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 167029737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).