2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine

C49H27N3OS2 — CID 176853773

IUPAC2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)cc(-c2nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5sc6ccccc6c5c4)n2)c2c4ccccc4oc32)cc1
InChIInChI=1S/C49H27N3OS2/c1-2-10-28(11-3-1)29-18-21-33-32(24-29)27-39(45-36-14-4-7-15-40(36)53-46(33)45)49-51-47(30-19-22-43-37(25-30)34-12-5-8-16-41(34)54-43)50-48(52-49)31-20-23-44-38(26-31)35-13-6-9-17-42(35)55-44/h1-27H
InChIKeyIAQROUXNDFWBKG-UHFFFAOYSA-N
MW737.91 g/mol
LogP14.33
Rot. Bonds4

About 2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine

2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine (PubChem CID 176853773) has the molecular formula C49H27N3OS2 and a molecular weight of 737.91 g/mol. Its IUPAC name is 2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
PubChem CID176853773
Molecular FormulaC49H27N3OS2
Molecular Weight737.91 g/mol
Exact Mass737.16
IUPAC Name2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)cc(-c2nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5sc6ccccc6c5c4)n2)c2c4ccccc4oc32)cc1
InChIInChI=1S/C49H27N3OS2/c1-2-10-28(11-3-1)29-18-21-33-32(24-29)27-39(45-36-14-4-7-15-40(36)53-46(33)45)49-51-47(30-19-22-43-37(25-30)34-12-5-8-16-41(34)54-43)50-48(52-49)31-20-23-44-38(26-31)35-13-6-9-17-42(35)55-44/h1-27H
InChIKeyIAQROUXNDFWBKG-UHFFFAOYSA-N
XLogP14.33
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.91
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(9-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 177130835
2-dibenzothiophen-2-yl-4-(1-phenyldibenzofuran-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176831417
2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853446
2-dibenzothiophen-2-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301810
2-naphthalen-2-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176854017
2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078013
2-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155328643
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853943
2-dibenzofuran-4-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853960
2-dibenzothiophen-3-yl-4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)-6-phenyl-1,3,5-triazine
CID 166845145
2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 155079414
9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole
CID 176854040

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine (CID 176853773) is 2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(c2)cc(-c2nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5sc6ccccc6c5c4)n2)c2c4ccccc4oc32)cc1.
What is the InChIKey of 2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
The InChIKey is IAQROUXNDFWBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27N3OS2/c1-2-10-28(11-3-1)29-18-21-33-32(24-29)27-39(45-36-14-4-7-15-40(36)53-46(33)45)49-51-47(30-19-22-43-37(25-30)34-12-5-8-16-41(34)54-43)50-48(52-49)31-20-23-44-38(26-31)35-13-6-9-17-42(35)55-44/h1-27H.
What are the key properties of 2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine?
2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine has a molecular weight of 737.91 g/mol, XLogP of 14.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzothiophen-2-yl)-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine is sourced from PubChem (CID 176853773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).