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

C73H39N7O2S2 — CID 88949815

IUPAC5-[4,6-di(dibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7ccc8sc9ccccc9c8c7)nc(-c7ccc8sc9ccccc9c8c7)n6)c45)n3)cc12
InChIInChI=1S/C73H39N7O2S2/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/h1-39H
InChIKeyOTCROLVJHSNQIG-UHFFFAOYSA-N
MW1110.30 g/mol
LogP20.06
Rot. Bonds6

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

5-[4,6-di(dibenzofuran-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 88949815) has the molecular formula C73H39N7O2S2 and a molecular weight of 1110.30 g/mol. Its IUPAC name is 5-[4,6-di(dibenzofuran-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-[4,6-di(dibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
PubChem CID88949815
Molecular FormulaC73H39N7O2S2
Molecular Weight1110.30 g/mol
Exact Mass1109.26
IUPAC Name5-[4,6-di(dibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7ccc8sc9ccccc9c8c7)nc(-c7ccc8sc9ccccc9c8c7)n6)c45)n3)cc12
InChIInChI=1S/C73H39N7O2S2/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/h1-39H
InChIKeyOTCROLVJHSNQIG-UHFFFAOYSA-N
XLogP20.06
TPSA100.59 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001110.30
LogP ≤ 520.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-[4,6-di(dibenzofuran-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-[4,6-di(dibenzofuran-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-[4,6-di(dibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (CID 88949815) is 5-[4,6-di(dibenzofuran-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-[4,6-di(dibenzofuran-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-[4,6-di(dibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is c1ccc2c(c1)oc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7ccc8sc9ccccc9c8c7)nc(-c7ccc8sc9ccccc9c8c7)n6)c45)n3)cc12.
What is the InChIKey of 5-[4,6-di(dibenzofuran-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 OTCROLVJHSNQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H39N7O2S2/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/h1-39H.
What are the key properties of 5-[4,6-di(dibenzofuran-2-yl)pyrimidin-2-yl]-12-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
5-[4,6-di(dibenzofuran-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 1110.30 g/mol, XLogP of 20.06, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-di(dibenzofuran-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 88949815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).