About 4-[3-[4,6-bis(3-methylphenyl)-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]phenothiazine];12-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),4,6,10-tetraene-8,8'-chromeno[3,2-c]phenoxazine]
4-[3-[4,6-bis(3-methylphenyl)-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]phenothiazine];12-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),4,6,10-tetraene-8,8'-chromeno[3,2-c]phenoxazine] (PubChem CID 167611125) has the molecular formula C126H86N12O3S
and a molecular weight of 1848.22 g/mol. Its IUPAC name is 4-[3-[4,6-bis(3-methylphenyl)-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]phenothiazine];12-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),4,6,10-tetraene-8,8'-chromeno[3,2-c]phenoxazine].
Frequently Asked Questions
What is the IUPAC name of 4-[3-[4,6-bis(3-methylphenyl)-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]phenothiazine];12-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),4,6,10-tetraene-8,8'-chromeno[3,2-c]phenoxazine]?
The IUPAC name of 4-[3-[4,6-bis(3-methylphenyl)-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]phenothiazine];12-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),4,6,10-tetraene-8,8'-chromeno[3,2-c]phenoxazine] (CID 167611125) is 4-[3-[4,6-bis(3-methylphenyl)-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]phenothiazine];12-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),4,6,10-tetraene-8,8'-chromeno[3,2-c]phenoxazine].
What is the SMILES notation for 4-[3-[4,6-bis(3-methylphenyl)-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]phenothiazine];12-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),4,6,10-tetraene-8,8'-chromeno[3,2-c]phenoxazine]?
The canonical SMILES for 4-[3-[4,6-bis(3-methylphenyl)-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]phenothiazine];12-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),4,6,10-tetraene-8,8'-chromeno[3,2-c]phenoxazine] is C1=CNC2C(=C1)C1(C3=C2NC(c2cccc(C4=NC(c5ccccc5)N=C(c5ccccc5)N4)c2)C=C3)c2ccccc2Oc2c1ccc1c2Oc2ccccc2N1c1cccc(-c2ccccc2)c1.Cc1cccc(-c2nc(-c3cccc(C)c3)nc(-c3cccc(-c4ccc5c(n4)-c4ncccc4C54c5ccccc5Oc5c4ccc4c5Sc5ccccc5N4c4cccc(-c5ccccc5)c4)c3)n2)c1.
What is the InChIKey of 4-[3-[4,6-bis(3-methylphenyl)-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]phenothiazine];12-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),4,6,10-tetraene-8,8'-chromeno[3,2-c]phenoxazine]?
The InChIKey is LBKGLHJPJGRGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N6OS.C62H44N6O2/c1-39-15-10-21-44(35-39)61-67-62(45-22-11-16-40(2)36-45)69-63(68-61)46-23-12-20-43(37-46)52-32-30-50-58(66-52)57-49(26-14-34-65-57)64(50)48-25-6-8-28-55(48)71-59-51(64)31-33-54-60(59)72-56-29-9-7-27-53(56)70(54)47-24-13-19-42(38-47)41-17-4-3-5-18-41;1-4-17-39(18-5-1)42-23-15-26-45(38-42)68-51-29-11-13-31-54(51)70-58-52(68)35-33-49-57(58)69-53-30-12-10-27-46(53)62(49)47-28-16-36-63-55(47)56-48(62)32-34-50(64-56)43-24-14-25-44(37-43)61-66-59(40-19-6-2-7-20-40)65-60(67-61)41-21-8-3-9-22-41/h3-38H,1-2H3;1-38,50,55,59,63-64H,(H,65,66,67).
What are the key properties of 4-[3-[4,6-bis(3-methylphenyl)-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]phenothiazine];12-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),4,6,10-tetraene-8,8'-chromeno[3,2-c]phenoxazine]?
4-[3-[4,6-bis(3-methylphenyl)-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]phenothiazine];12-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),4,6,10-tetraene-8,8'-chromeno[3,2-c]phenoxazine] has a molecular weight of 1848.22 g/mol, XLogP of 29.41, 12 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4,6-bis(3-methylphenyl)-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]phenothiazine];12-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-5'-(3-phenylphenyl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),4,6,10-tetraene-8,8'-chromeno[3,2-c]phenoxazine] is sourced from PubChem (CID 167611125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).