2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

C64H43N3OS — CID 163599254

IUPAC2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESCC1CC=CC=C1c1cc(-c2ccccc2)cc(-c2ccc3c(c2)oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5-c5cccc6c5sc5ccccc56)n4)c23)c1
InChIInChI=1S/C64H43N3OS/c1-40-18-8-9-23-47(40)46-37-44(41-19-4-2-5-20-41)36-45(38-46)43-34-35-55-58(39-43)68-57-32-17-31-56(60(55)57)64-66-62(42-21-6-3-7-22-42)65-63(67-64)54-28-13-12-26-50(54)48-24-10-11-25-49(48)52-29-16-30-53-51-27-14-15-33-59(51)69-61(52)53/h2-17,19-40H,18H2,1H3
InChIKeyGWEMSFJPIYITKL-UHFFFAOYSA-N
MW902.14 g/mol
LogP17.79
Rot. Bonds8

About 2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 163599254) has the molecular formula C64H43N3OS and a molecular weight of 902.14 g/mol. Its IUPAC name is 2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID163599254
Molecular FormulaC64H43N3OS
Molecular Weight902.14 g/mol
Exact Mass901.31
IUPAC Name2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESCC1CC=CC=C1c1cc(-c2ccccc2)cc(-c2ccc3c(c2)oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5-c5cccc6c5sc5ccccc56)n4)c23)c1
InChIInChI=1S/C64H43N3OS/c1-40-18-8-9-23-47(40)46-37-44(41-19-4-2-5-20-41)36-45(38-46)43-34-35-55-58(39-43)68-57-32-17-31-56(60(55)57)64-66-62(42-21-6-3-7-22-42)65-63(67-64)54-28-13-12-26-50(54)48-24-10-11-25-49(48)52-29-16-30-53-51-27-14-15-33-59(51)69-61(52)53/h2-17,19-40H,18H2,1H3
InChIKeyGWEMSFJPIYITKL-UHFFFAOYSA-N
XLogP17.79
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.14
LogP ≤ 517.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176773453
2-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 176773463
2-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9-dibenzothiophen-4-yldibenzothiophen-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158691647
2-(7-naphtho[1,2-b][1]benzothiol-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741125
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-dibenzofuran-1-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-naphtho[1,2-b][1]benzothiol-3-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 167673267
2-dibenzofuran-3-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952304
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163842372
2-[3-[7-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193079
2-[6-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 157215906
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743482

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (CID 163599254) is 2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is CC1CC=CC=C1c1cc(-c2ccccc2)cc(-c2ccc3c(c2)oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5-c5cccc6c5sc5ccccc56)n4)c23)c1.
What is the InChIKey of 2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is GWEMSFJPIYITKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3OS/c1-40-18-8-9-23-47(40)46-37-44(41-19-4-2-5-20-41)36-45(38-46)43-34-35-55-58(39-43)68-57-32-17-31-56(60(55)57)64-66-62(42-21-6-3-7-22-42)65-63(67-64)54-28-13-12-26-50(54)48-24-10-11-25-49(48)52-29-16-30-53-51-27-14-15-33-59(51)69-61(52)53/h2-17,19-40H,18H2,1H3.
What are the key properties of 2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 902.14 g/mol, XLogP of 17.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 163599254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).