About 12-[3-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-(3-naphthalen-1-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene-8,8'-thiochromeno[3,2-c]phenoxazine];4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]
12-[3-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-(3-naphthalen-1-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene-8,8'-thiochromeno[3,2-c]phenoxazine];4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine] (PubChem CID 167647879) has the molecular formula C130H84N12O3S
and a molecular weight of 1894.25 g/mol. Its IUPAC name is 12-[3-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-(3-naphthalen-1-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene-8,8'-thiochromeno[3,2-c]phenoxazine];4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine].
Frequently Asked Questions
What is the IUPAC name of 12-[3-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-(3-naphthalen-1-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene-8,8'-thiochromeno[3,2-c]phenoxazine];4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]?
The IUPAC name of 12-[3-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-(3-naphthalen-1-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene-8,8'-thiochromeno[3,2-c]phenoxazine];4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine] (CID 167647879) is 12-[3-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-(3-naphthalen-1-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene-8,8'-thiochromeno[3,2-c]phenoxazine];4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine].
What is the SMILES notation for 12-[3-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-(3-naphthalen-1-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene-8,8'-thiochromeno[3,2-c]phenoxazine];4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]?
The canonical SMILES for 12-[3-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-(3-naphthalen-1-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene-8,8'-thiochromeno[3,2-c]phenoxazine];4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine] is Cc1cccc(-c2nc(-c3cccc(C)c3)nc(-c3cccc(C4C=CC5=C(N4)c4ncccc4C54c5ccccc5Sc5c4ccc4c5Oc5ccccc5N4c4cccc(-c5cccc6ccccc56)c4)c3)n2)c1.c1ccc(-c2cccc(N3c4ccccc4Oc4c3ccc3c4Oc4ccccc4C34c3cccnc3-c3nc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc34)c2)cc1.
What is the InChIKey of 12-[3-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-(3-naphthalen-1-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene-8,8'-thiochromeno[3,2-c]phenoxazine];4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]?
The InChIKey is QDJGLQLDBHIACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N6OS.C62H38N6O2/c1-41-15-9-21-46(37-41)65-71-66(47-22-10-16-42(2)38-47)73-67(72-65)48-23-11-20-45(39-48)56-34-32-54-62(70-56)61-53(28-14-36-69-61)68(54)52-27-5-8-31-60(52)76-64-55(68)33-35-58-63(64)75-59-30-7-6-29-57(59)74(58)49-24-12-19-44(40-49)51-26-13-18-43-17-3-4-25-50(43)51;1-4-18-39(19-5-1)42-24-16-25-43(38-42)68-51-30-13-15-32-54(51)70-58-52(68)36-34-49-57(58)69-53-31-14-12-28-46(53)62(49)47-29-17-37-63-55(47)56-48(62)33-35-50(64-56)44-26-10-11-27-45(44)61-66-59(40-20-6-2-7-21-40)65-60(67-61)41-22-8-3-9-23-41/h3-40,56,70H,1-2H3;1-38H.
What are the key properties of 12-[3-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-(3-naphthalen-1-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene-8,8'-thiochromeno[3,2-c]phenoxazine];4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]?
12-[3-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-(3-naphthalen-1-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene-8,8'-thiochromeno[3,2-c]phenoxazine];4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine] has a molecular weight of 1894.25 g/mol, XLogP of 31.75, 12 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-(3-naphthalen-1-ylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10-pentaene-8,8'-thiochromeno[3,2-c]phenoxazine];4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine] is sourced from PubChem (CID 167647879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).