2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

C67H45N3O2S — CID 166737697

IUPAC2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESCCC(c1ccccc1)c1ccc(-c2cccc3sc4ccc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9cccc%10oc%11ccccc%11c9%10)n8)c7c6c5)cc4c23)cc1-c1ccccc1C
InChIInChI=1S/C67H45N3O2S/c1-3-46(41-18-6-4-7-19-41)49-34-31-45(39-53(49)47-22-11-10-17-40(47)2)48-24-16-30-61-64(48)55-38-44(33-36-60(55)73-61)43-32-35-57-54(37-43)63-52(26-15-29-59(63)72-57)67-69-65(42-20-8-5-9-21-42)68-66(70-67)51-25-14-28-58-62(51)50-23-12-13-27-56(50)71-58/h4-39,46H,3H2,1-2H3
InChIKeyIESLYUMYZMJFHY-UHFFFAOYSA-N
MW956.18 g/mol
LogP18.89
Rot. Bonds9

About 2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 166737697) has the molecular formula C67H45N3O2S and a molecular weight of 956.18 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID166737697
Molecular FormulaC67H45N3O2S
Molecular Weight956.18 g/mol
Exact Mass955.32
IUPAC Name2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESCCC(c1ccccc1)c1ccc(-c2cccc3sc4ccc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9cccc%10oc%11ccccc%11c9%10)n8)c7c6c5)cc4c23)cc1-c1ccccc1C
InChIInChI=1S/C67H45N3O2S/c1-3-46(41-18-6-4-7-19-41)49-34-31-45(39-53(49)47-22-11-10-17-40(47)2)48-24-16-30-61-64(48)55-38-44(33-36-60(55)73-61)43-32-35-57-54(37-43)63-52(26-15-29-59(63)72-57)67-69-65(42-20-8-5-9-21-42)68-66(70-67)51-25-14-28-58-62(51)50-23-12-13-27-56(50)71-58/h4-39,46H,3H2,1-2H3
InChIKeyIESLYUMYZMJFHY-UHFFFAOYSA-N
XLogP18.89
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.18
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-dibenzofuran-1-yl-4-phenyl-6-[5-(8-phenyldibenzothiophen-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731840
2-dibenzofuran-1-yl-4-phenyl-6-[8-[2-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946542
2-dibenzothiophen-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198711
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198900
2-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952247
9-[4-dibenzothiophen-3-yl-6-[8-[3-(2-methylphenyl)-4-[1-(3-phenylphenyl)ethyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole
CID 166737531
2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199430
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742649
2-(8-dibenzofuran-3-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 169059388
2-(3-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 166743455
2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(8-naphtho[2,3-b][1]benzothiol-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-naphthalen-1-yl-4-(2-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[3,2-b][1]benzothiol-11-yl)-6-phenyl-1,3,5-triazine
CID 160894116

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (CID 166737697) is 2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is CCC(c1ccccc1)c1ccc(-c2cccc3sc4ccc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9cccc%10oc%11ccccc%11c9%10)n8)c7c6c5)cc4c23)cc1-c1ccccc1C.
What is the InChIKey of 2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is IESLYUMYZMJFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N3O2S/c1-3-46(41-18-6-4-7-19-41)49-34-31-45(39-53(49)47-22-11-10-17-40(47)2)48-24-16-30-61-64(48)55-38-44(33-36-60(55)73-61)43-32-35-57-54(37-43)63-52(26-15-29-59(63)72-57)67-69-65(42-20-8-5-9-21-42)68-66(70-67)51-25-14-28-58-62(51)50-23-12-13-27-56(50)71-58/h4-39,46H,3H2,1-2H3.
What are the key properties of 2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 956.18 g/mol, XLogP of 18.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-[8-[9-[3-(2-methylphenyl)-4-(1-phenylpropyl)phenyl]dibenzothiophen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166737697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).