4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine

C51H33N3OS — CID 170192304

IUPAC4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)sc3c(-c5ccccc5-c5cccc6c5oc5ccccc56)cccc34)=NC(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C51H33N3OS/c1-3-13-32(14-4-1)33-25-27-35(28-26-33)50-52-49(34-15-5-2-6-16-34)53-51(54-50)36-29-30-40-44-23-12-22-43(48(44)56-46(40)31-36)38-18-8-7-17-37(38)41-20-11-21-42-39-19-9-10-24-45(39)55-47(41)42/h1-31,50H,(H,52,53,54)
InChIKeyDNKTVHPRYXTMHI-UHFFFAOYSA-N
MW735.91 g/mol
LogP13.45
Rot. Bonds6

About 4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine

4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (PubChem CID 170192304) has the molecular formula C51H33N3OS and a molecular weight of 735.91 g/mol. Its IUPAC name is 4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
PubChem CID170192304
Molecular FormulaC51H33N3OS
Molecular Weight735.91 g/mol
Exact Mass735.23
IUPAC Name4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)sc3c(-c5ccccc5-c5cccc6c5oc5ccccc56)cccc34)=NC(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C51H33N3OS/c1-3-13-32(14-4-1)33-25-27-35(28-26-33)50-52-49(34-15-5-2-6-16-34)53-51(54-50)36-29-30-40-44-23-12-22-43(48(44)56-46(40)31-36)38-18-8-7-17-37(38)41-20-11-21-42-39-19-9-10-24-45(39)55-47(41)42/h1-31,50H,(H,52,53,54)
InChIKeyDNKTVHPRYXTMHI-UHFFFAOYSA-N
XLogP13.45
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.91
LogP ≤ 513.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170192694
2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 142342927
(2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 166744213
4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 174321217
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146544048
9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 136598017
2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 145447233
5-[4-[4-dibenzothiophen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699937
4-[6-dibenzofuran-2-yl-4-(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574860
4-(4-naphthalen-1-ylphenyl)-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167132630
4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167185632

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (CID 170192304) is 4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4c(c3)sc3c(-c5ccccc5-c5cccc6c5oc5ccccc56)cccc34)=NC(c3ccc(-c4ccccc4)cc3)N2)cc1.
What is the InChIKey of 4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is DNKTVHPRYXTMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3OS/c1-3-13-32(14-4-1)33-25-27-35(28-26-33)50-52-49(34-15-5-2-6-16-34)53-51(54-50)36-29-30-40-44-23-12-22-43(48(44)56-46(40)31-36)38-18-8-7-17-37(38)41-20-11-21-42-39-19-9-10-24-45(39)55-47(41)42/h1-31,50H,(H,52,53,54).
What are the key properties of 4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 735.91 g/mol, XLogP of 13.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170192304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).