2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine

C63H39N3OS — CID 154603841

IUPAC2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)n3)c2)cc1
InChIInChI=1S/C63H39N3OS/c1-5-17-40(18-6-1)45-33-34-56-55(39-45)58-54(31-16-32-57(58)67-56)63-65-61(43-23-11-4-12-24-43)64-62(66-63)49-37-47(41-19-7-2-8-20-41)36-48(38-49)44-25-13-26-46(35-44)51-28-15-30-53-52-29-14-27-50(59(52)68-60(51)53)42-21-9-3-10-22-42/h1-39H
InChIKeyQUMQKLPTUNJADN-UHFFFAOYSA-N
MW886.09 g/mol
LogP17.47
Rot. Bonds8

About 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine

2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 154603841) has the molecular formula C63H39N3OS and a molecular weight of 886.09 g/mol. Its IUPAC name is 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine
PubChem CID154603841
Molecular FormulaC63H39N3OS
Molecular Weight886.09 g/mol
Exact Mass885.28
IUPAC Name2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)n3)c2)cc1
InChIInChI=1S/C63H39N3OS/c1-5-17-40(18-6-1)45-33-34-56-55(39-45)58-54(31-16-32-57(58)67-56)63-65-61(43-23-11-4-12-24-43)64-62(66-63)49-37-47(41-19-7-2-8-20-41)36-48(38-49)44-25-13-26-46(35-44)51-28-15-30-53-52-29-14-27-50(59(52)68-60(51)53)42-21-9-3-10-22-42/h1-39H
InChIKeyQUMQKLPTUNJADN-UHFFFAOYSA-N
XLogP17.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.09
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 139549262
2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-[3-[3-[4-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[4-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 161174250
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 161063143
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(8-phenyldibenzofuran-1-yl)pyrimidine;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]pyrimidine;2-[3-(4-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[4-[6-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 159109291
2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139549065
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 161271713
2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946169
2-(6-dibenzofuran-1-yl-4-phenyldibenzothiophen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168721769
2-dibenzofuran-1-yl-4-[4-[3-[6-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-6-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 155329850
2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163478028
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine (CID 154603841) is 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3cccc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine?
The InChIKey is QUMQKLPTUNJADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N3OS/c1-5-17-40(18-6-1)45-33-34-56-55(39-45)58-54(31-16-32-57(58)67-56)63-65-61(43-23-11-4-12-24-43)64-62(66-63)49-37-47(41-19-7-2-8-20-41)36-48(38-49)44-25-13-26-46(35-44)51-28-15-30-53-52-29-14-27-50(59(52)68-60(51)53)42-21-9-3-10-22-42/h1-39H.
What are the key properties of 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine?
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 886.09 g/mol, XLogP of 17.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-phenyl-5-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 154603841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).