9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine

C101H64N10OS2 — CID 159520020

IUPAC9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc6c7ccccc7n7c8sccc8c(c5)c67)c4)n3)c2)c2ccccc21.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3cccc(-c4cc5c6ccccc6n6c7sccc7c(c4)c56)c3)n2)cc1
InChIInChI=1S/C52H35N5S.C49H29N5OS/c1-52(2)42-21-7-10-24-45(42)56(46-25-11-8-22-43(46)52)37-19-13-18-35(29-37)50-54-48(32-14-4-3-5-15-32)53-49(55-50)34-17-12-16-33(28-34)36-30-40-38-20-6-9-23-44(38)57-47(40)41(31-36)39-26-27-58-51(39)57;1-2-11-30(12-3-1)46-50-47(31-21-23-35(24-22-31)53-41-17-6-8-19-43(41)55-44-20-9-7-18-42(44)53)52-48(51-46)33-14-10-13-32(27-33)34-28-38-36-15-4-5-16-40(36)54-45(38)39(29-34)37-25-26-56-49(37)54/h3-31H,1-2H3;1-29H
InChIKeyMBRPNDZRPNWUHI-UHFFFAOYSA-N
MW1497.83 g/mol
LogP27.19
Rot. Bonds10

About 9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine

9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine (PubChem CID 159520020) has the molecular formula C101H64N10OS2 and a molecular weight of 1497.83 g/mol. Its IUPAC name is 9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
PubChem CID159520020
Molecular FormulaC101H64N10OS2
Molecular Weight1497.83 g/mol
Exact Mass1496.47
IUPAC Name9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc6c7ccccc7n7c8sccc8c(c5)c67)c4)n3)c2)c2ccccc21.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3cccc(-c4cc5c6ccccc6n6c7sccc7c(c4)c56)c3)n2)cc1
InChIInChI=1S/C52H35N5S.C49H29N5OS/c1-52(2)42-21-7-10-24-45(42)56(46-25-11-8-22-43(46)52)37-19-13-18-35(29-37)50-54-48(32-14-4-3-5-15-32)53-49(55-50)34-17-12-16-33(28-34)36-30-40-38-20-6-9-23-44(38)57-47(40)41(31-36)39-26-27-58-51(39)57;1-2-11-30(12-3-1)46-50-47(31-21-23-35(24-22-31)53-41-17-6-8-19-43(41)55-44-20-9-7-18-42(44)53)52-48(51-46)33-14-10-13-32(27-33)34-28-38-36-15-4-5-16-40(36)54-45(38)39(29-34)37-25-26-56-49(37)54/h3-31H,1-2H3;1-29H
InChIKeyMBRPNDZRPNWUHI-UHFFFAOYSA-N
XLogP27.19
TPSA101.87 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001497.83
LogP ≤ 527.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine with MolForge

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Related Compounds

10-[3-[4-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 170682872
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine
CID 134579019
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
5-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;5-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 157327950
13,13-dimethyl-10-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 123975010
3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine
CID 134475859
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
10-[4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 123456756
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
CID 168836599
1,8-bis[3-(3,5-diphenylphenyl)phenyl]-9-methylcarbazole;1,8-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole;10-[3-[9-methyl-8-(3-phenoxazin-10-ylphenyl)carbazol-1-yl]phenyl]phenoxazine;10-[4-[9-methyl-8-(4-phenoxazin-10-ylphenyl)carbazol-1-yl]phenyl]phenoxazine
CID 157430617

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The IUPAC name of 9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine (CID 159520020) is 9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The canonical SMILES for 9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine is CC1(C)c2ccccc2N(c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc6c7ccccc7n7c8sccc8c(c5)c67)c4)n3)c2)c2ccccc21.c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3cccc(-c4cc5c6ccccc6n6c7sccc7c(c4)c56)c3)n2)cc1.
What is the InChIKey of 9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine?
The InChIKey is MBRPNDZRPNWUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N5S.C49H29N5OS/c1-52(2)42-21-7-10-24-45(42)56(46-25-11-8-22-43(46)52)37-19-13-18-35(29-37)50-54-48(32-14-4-3-5-15-32)53-49(55-50)34-17-12-16-33(28-34)36-30-40-38-20-6-9-23-44(38)57-47(40)41(31-36)39-26-27-58-51(39)57;1-2-11-30(12-3-1)46-50-47(31-21-23-35(24-22-31)53-41-17-6-8-19-43(41)55-44-20-9-7-18-42(44)53)52-48(51-46)33-14-10-13-32(27-33)34-28-38-36-15-4-5-16-40(36)54-45(38)39(29-34)37-25-26-56-49(37)54/h3-31H,1-2H3;1-29H.
What are the key properties of 9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine?
9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine has a molecular weight of 1497.83 g/mol, XLogP of 27.19, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaene;10-[4-[4-phenyl-6-[3-(3-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),4,7,9,11(18),12,14,16-octaen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 159520020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).