5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

C73H41N7O2S2 — CID 88950428

IUPAC5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILESC1=Cc2c(oc3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)nc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7nc(-c8ccc9sc%10ccccc%10c9c8)nc(-c8ccc9sc%10ccccc%10c9c8)n7)c56)n4)cc23)CC1
InChIInChI=1S/C73H41N7O2S2/c1-7-19-57-44(13-1)49-29-30-59-68(69(49)80(57)73-77-70(42-27-33-66-53(37-42)47-16-5-11-23-64(47)83-66)76-71(78-73)43-28-34-67-54(38-43)48-17-6-12-24-65(48)84-67)50-18-2-8-20-58(50)79(59)72-74-55(40-25-31-62-51(35-40)45-14-3-9-21-60(45)81-62)39-56(75-72)41-26-32-63-52(36-41)46-15-4-10-22-61(46)82-63/h1-9,11-21,23-39H,10,22H2
InChIKeyQCTQXSOOSZKKGS-UHFFFAOYSA-N
MW1112.31 g/mol
LogP19.86
Rot. Bonds6

About 5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (PubChem CID 88950428) has the molecular formula C73H41N7O2S2 and a molecular weight of 1112.31 g/mol. Its IUPAC name is 5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
PubChem CID88950428
Molecular FormulaC73H41N7O2S2
Molecular Weight1112.31 g/mol
Exact Mass1111.28
IUPAC Name5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILESC1=Cc2c(oc3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)nc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7nc(-c8ccc9sc%10ccccc%10c9c8)nc(-c8ccc9sc%10ccccc%10c9c8)n7)c56)n4)cc23)CC1
InChIInChI=1S/C73H41N7O2S2/c1-7-19-57-44(13-1)49-29-30-59-68(69(49)80(57)73-77-70(42-27-33-66-53(37-42)47-16-5-11-23-64(47)83-66)76-71(78-73)43-28-34-67-54(38-43)48-17-6-12-24-65(48)84-67)50-18-2-8-20-58(50)79(59)72-74-55(40-25-31-62-51(35-40)45-14-3-9-21-60(45)81-62)39-56(75-72)41-26-32-63-52(36-41)46-15-4-10-22-61(46)82-63/h1-9,11-21,23-39H,10,22H2
InChIKeyQCTQXSOOSZKKGS-UHFFFAOYSA-N
XLogP19.86
TPSA100.59 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001112.31
LogP ≤ 519.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The IUPAC name of 5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (CID 88950428) is 5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is C1=Cc2c(oc3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)nc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7nc(-c8ccc9sc%10ccccc%10c9c8)nc(-c8ccc9sc%10ccccc%10c9c8)n7)c56)n4)cc23)CC1.
What is the InChIKey of 5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The InChIKey is QCTQXSOOSZKKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H41N7O2S2/c1-7-19-57-44(13-1)49-29-30-59-68(69(49)80(57)73-77-70(42-27-33-66-53(37-42)47-16-5-11-23-64(47)83-66)76-71(78-73)43-28-34-67-54(38-43)48-17-6-12-24-65(48)84-67)50-18-2-8-20-58(50)79(59)72-74-55(40-25-31-62-51(35-40)45-14-3-9-21-60(45)81-62)39-56(75-72)41-26-32-63-52(36-41)46-15-4-10-22-61(46)82-63/h1-9,11-21,23-39H,10,22H2.
What are the key properties of 5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole has a molecular weight of 1112.31 g/mol, XLogP of 19.86, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-dibenzofuran-2-yl-6-(6,7-dihydrodibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 88950428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).