2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C45H27N3OS — CID 153355157

IUPAC2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6ccccc67)n5)c4c3c2)cc1
InChIInChI=1S/C45H27N3OS/c1-4-14-28(15-5-1)31-26-36(29-16-6-2-7-17-29)41-37(27-31)40-34(22-13-24-38(40)49-41)44-46-43(30-18-8-3-9-19-30)47-45(48-44)35-23-12-21-33-32-20-10-11-25-39(32)50-42(33)35/h1-27H
InChIKeyOUYGHDRPHSGXIG-UHFFFAOYSA-N
MW657.80 g/mol
LogP12.47
Rot. Bonds5

About 2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 153355157) has the molecular formula C45H27N3OS and a molecular weight of 657.80 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID153355157
Molecular FormulaC45H27N3OS
Molecular Weight657.80 g/mol
Exact Mass657.19
IUPAC Name2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6ccccc67)n5)c4c3c2)cc1
InChIInChI=1S/C45H27N3OS/c1-4-14-28(15-5-1)31-26-36(29-16-6-2-7-17-29)41-37(27-31)40-34(22-13-24-38(40)49-41)44-46-43(30-18-8-3-9-19-30)47-45(48-44)35-23-12-21-33-32-20-10-11-25-39(32)50-42(33)35/h1-27H
InChIKeyOUYGHDRPHSGXIG-UHFFFAOYSA-N
XLogP12.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.80
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170199717
2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 147117573
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 147864491
2-dibenzothiophen-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952877
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(7-phenyldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096844
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 148788297
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-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-[3-[2-(4-dibenzothiophen-4-ylphenyl)phenyl]-5-phenylphenyl]-4-phenyl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-[4-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[4-[3-[3-(8-phenyldibenzothiophen-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 162093884
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-(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-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170202632
2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259541

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 153355157) is 2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)c3oc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6ccccc67)n5)c4c3c2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is OUYGHDRPHSGXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3OS/c1-4-14-28(15-5-1)31-26-36(29-16-6-2-7-17-29)41-37(27-31)40-34(22-13-24-38(40)49-41)44-46-43(30-18-8-3-9-19-30)47-45(48-44)35-23-12-21-33-32-20-10-11-25-39(32)50-42(33)35/h1-27H.
What are the key properties of 2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 657.80 g/mol, XLogP of 12.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-(6,8-diphenyldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 153355157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).