9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole

C69H40N4O2S — CID 168768781

IUPAC9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccccc5)cccc34)nc(-c3cccc4sc5cc(-c6ccc7c(c6)oc6ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc67)ccc5c34)n2)cc1
InChIInChI=1S/C69H40N4O2S/c1-4-14-41(15-5-1)49-21-12-22-54-52-33-29-47(39-62(52)75-66(49)54)68-70-67(42-16-6-2-7-17-42)71-69(72-68)56-23-13-25-63-65(56)55-34-28-46(40-64(55)76-63)45-27-32-53-57-36-43(30-35-60(57)74-61(53)38-45)44-26-31-51-50-20-10-11-24-58(50)73(59(51)37-44)48-18-8-3-9-19-48/h1-40H
InChIKeyGLYGTFUACNZZRB-UHFFFAOYSA-N
MW989.17 g/mol
LogP19.14
Rot. Bonds7

About 9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole

9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole (PubChem CID 168768781) has the molecular formula C69H40N4O2S and a molecular weight of 989.17 g/mol. Its IUPAC name is 9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole
PubChem CID168768781
Molecular FormulaC69H40N4O2S
Molecular Weight989.17 g/mol
Exact Mass988.29
IUPAC Name9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccccc5)cccc34)nc(-c3cccc4sc5cc(-c6ccc7c(c6)oc6ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc67)ccc5c34)n2)cc1
InChIInChI=1S/C69H40N4O2S/c1-4-14-41(15-5-1)49-21-12-22-54-52-33-29-47(39-62(52)75-66(49)54)68-70-67(42-16-6-2-7-17-42)71-69(72-68)56-23-13-25-63-65(56)55-34-28-46(40-64(55)76-63)45-27-32-53-57-36-43(30-35-60(57)74-61(53)38-45)44-26-31-51-50-20-10-11-24-58(50)73(59(51)37-44)48-18-8-3-9-19-48/h1-40H
InChIKeyGLYGTFUACNZZRB-UHFFFAOYSA-N
XLogP19.14
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.17
LogP ≤ 519.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767810
2-[7-[9-[4-(7-dibenzothiophen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768205
3-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768306
3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 168767904
5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014557
2-(4-dibenzofuran-2-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534556
2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 159094409
3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 161402392
3-[6-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768428
2-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 168768047
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768583
2-dibenzofuran-3-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-dibenzothiophen-3-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 161448697

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole (CID 168768781) is 9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3c(-c5ccccc5)cccc34)nc(-c3cccc4sc5cc(-c6ccc7c(c6)oc6ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc67)ccc5c34)n2)cc1.
What is the InChIKey of 9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is GLYGTFUACNZZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H40N4O2S/c1-4-14-41(15-5-1)49-21-12-22-54-52-33-29-47(39-62(52)75-66(49)54)68-70-67(42-16-6-2-7-17-42)71-69(72-68)56-23-13-25-63-65(56)55-34-28-46(40-64(55)76-63)45-27-32-53-57-36-43(30-35-60(57)74-61(53)38-45)44-26-31-51-50-20-10-11-24-58(50)73(59(51)37-44)48-18-8-3-9-19-48/h1-40H.
What are the key properties of 9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole?
9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 989.17 g/mol, XLogP of 19.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 168768781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).