2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine

C45H29N3S — CID 140946773

IUPAC2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccc4sc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc2)cc1
InChIInChI=1S/C45H29N3S/c1-4-13-30(14-5-1)31-23-25-32(26-24-31)36-19-10-11-20-37(36)35-27-28-40-39(29-35)42-38(21-12-22-41(42)49-40)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34/h1-29H
InChIKeyHEWRINDWMDTTEP-UHFFFAOYSA-N
MW643.82 g/mol
LogP12.24
Rot. Bonds6

About 2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine

2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine (PubChem CID 140946773) has the molecular formula C45H29N3S and a molecular weight of 643.82 g/mol. Its IUPAC name is 2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
PubChem CID140946773
Molecular FormulaC45H29N3S
Molecular Weight643.82 g/mol
Exact Mass643.21
IUPAC Name2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccc4sc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc2)cc1
InChIInChI=1S/C45H29N3S/c1-4-13-30(14-5-1)31-23-25-32(26-24-31)36-19-10-11-20-37(36)35-27-28-40-39(29-35)42-38(21-12-22-41(42)49-40)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34/h1-29H
InChIKeyHEWRINDWMDTTEP-UHFFFAOYSA-N
XLogP12.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.82
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 159903091
2,4-diphenyl-6-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199031
2-[8-(3,4-diphenylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 134198722
2-(3-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199446
2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 155470904
2-dibenzothiophen-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050063
2-dibenzothiophen-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzothiophen-1-yl)phenyl]-1,3,5-triazine
CID 134199441
2-dibenzofuran-1-yl-4-phenyl-6-[8-[2-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946542
2-(2-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-[2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199444
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine
CID 140946842
2-(3-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 169291118

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine (CID 140946773) is 2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccccc3-c3ccc4sc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
The InChIKey is HEWRINDWMDTTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3S/c1-4-13-30(14-5-1)31-23-25-32(26-24-31)36-19-10-11-20-37(36)35-27-28-40-39(29-35)42-38(21-12-22-41(42)49-40)45-47-43(33-15-6-2-7-16-33)46-44(48-45)34-17-8-3-9-18-34/h1-29H.
What are the key properties of 2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine has a molecular weight of 643.82 g/mol, XLogP of 12.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 140946773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).