4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C241H146N36O6 — CID 163653487

IUPAC4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc(-c2cnc3oc4c(-c5ccc6ccccc6c5)nc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)nc4c3c2)cc1.c1ccc(-c2cnc3oc4c(-c5ccccc5)nc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)nc4c3c2)cc1.c1ccc(-c2cnc3oc4cnc(-c5ccc(-c6ccc7c(c6)c(-c6ccccc6)nc6c7nc7ccccn76)cc5)nc4c3c2)cc1.c1ccc(-c2cnc3oc4cnc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)nc4c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)c5oc6ncccc6c5n4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5oc6ncccc6c5n4)cc3)n2)cc1
InChIInChI=1S/C46H28N6O.C42H26N6O.C41H24N6O.C40H24N6O.2C36H22N6O/c1-4-12-29(13-5-1)37-27-38-40-41(53-46(38)47-28-37)39(36-25-20-30-14-10-11-19-35(30)26-36)48-42(49-40)33-21-23-34(24-22-33)45-51-43(31-15-6-2-7-16-31)50-44(52-45)32-17-8-3-9-18-32;1-5-13-27(14-6-1)33-25-34-36-37(49-42(34)43-26-33)35(28-15-7-2-8-16-28)44-38(45-36)31-21-23-32(24-22-31)41-47-39(29-17-9-3-10-18-29)46-40(48-41)30-19-11-4-12-20-30;1-3-9-25(10-4-1)30-22-33-37-34(48-41(33)43-23-30)24-42-39(45-37)28-16-14-26(15-17-28)29-18-19-31-32(21-29)36(27-11-5-2-6-12-27)46-40-38(31)44-35-13-7-8-20-47(35)40;1-3-11-26(12-4-1)37-44-38(27-13-5-2-6-14-27)46-39(45-37)29-20-18-28(19-21-29)36-42-33(31-22-17-25-10-7-8-15-30(25)24-31)35-34(43-36)32-16-9-23-41-40(32)47-35;1-4-11-23(12-5-1)29-31-30(28-17-10-22-37-36(28)43-31)39-32(38-29)26-18-20-27(21-19-26)35-41-33(24-13-6-2-7-14-24)40-34(42-35)25-15-8-3-9-16-25;1-4-10-23(11-5-1)28-20-29-31-30(43-36(29)38-21-28)22-37-32(39-31)26-16-18-27(19-17-26)35-41-33(24-12-6-2-7-13-24)40-34(42-35)25-14-8-3-9-15-25/h1-28H;1-26H;1-24H;1-24H;2*1-22H
InChIKeyIOFFMBGYLZRBDQ-UHFFFAOYSA-N
MW3642.06 g/mol
LogP56.88
Rot. Bonds31

About 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 163653487) has the molecular formula C241H146N36O6 and a molecular weight of 3642.06 g/mol. Its IUPAC name is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID163653487
Molecular FormulaC241H146N36O6
Molecular Weight3642.06 g/mol
Exact Mass3639.22
IUPAC Name4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc(-c2cnc3oc4c(-c5ccc6ccccc6c5)nc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)nc4c3c2)cc1.c1ccc(-c2cnc3oc4c(-c5ccccc5)nc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)nc4c3c2)cc1.c1ccc(-c2cnc3oc4cnc(-c5ccc(-c6ccc7c(c6)c(-c6ccccc6)nc6c7nc7ccccn76)cc5)nc4c3c2)cc1.c1ccc(-c2cnc3oc4cnc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)nc4c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)c5oc6ncccc6c5n4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5oc6ncccc6c5n4)cc3)n2)cc1
InChIInChI=1S/C46H28N6O.C42H26N6O.C41H24N6O.C40H24N6O.2C36H22N6O/c1-4-12-29(13-5-1)37-27-38-40-41(53-46(38)47-28-37)39(36-25-20-30-14-10-11-19-35(30)26-36)48-42(49-40)33-21-23-34(24-22-33)45-51-43(31-15-6-2-7-16-31)50-44(52-45)32-17-8-3-9-18-32;1-5-13-27(14-6-1)33-25-34-36-37(49-42(34)43-26-33)35(28-15-7-2-8-16-28)44-38(45-36)31-21-23-32(24-22-31)41-47-39(29-17-9-3-10-18-29)46-40(48-41)30-19-11-4-12-20-30;1-3-9-25(10-4-1)30-22-33-37-34(48-41(33)43-23-30)24-42-39(45-37)28-16-14-26(15-17-28)29-18-19-31-32(21-29)36(27-11-5-2-6-12-27)46-40-38(31)44-35-13-7-8-20-47(35)40;1-3-11-26(12-4-1)37-44-38(27-13-5-2-6-14-27)46-39(45-37)29-20-18-28(19-21-29)36-42-33(31-22-17-25-10-7-8-15-30(25)24-31)35-34(43-36)32-16-9-23-41-40(32)47-35;1-4-11-23(12-5-1)29-31-30(28-17-10-22-37-36(28)43-31)39-32(38-29)26-18-20-27(21-19-26)35-41-33(24-13-6-2-7-14-24)40-34(42-35)25-15-8-3-9-16-25;1-4-10-23(11-5-1)28-20-29-31-30(43-36(29)38-21-28)22-37-32(39-31)26-16-18-27(19-17-26)35-41-33(24-12-6-2-7-13-24)40-34(42-35)25-14-8-3-9-15-25/h1-28H;1-26H;1-24H;1-24H;2*1-22H
InChIKeyIOFFMBGYLZRBDQ-UHFFFAOYSA-N
XLogP56.88
TPSA534.40 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds31
Heavy Atoms283
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003642.06
LogP ≤ 556.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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4-Chloro-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,6-dichloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;phenylboronic acid
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CID 163656177
CID 163658932
CID 163658932
2-[4-[3-([1]Benzofuro[2,3-c]pyridin-1-yl)-5-phenylbenzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[4-[3-([1]benzofuro[3,2-c]pyridin-3-yl)-5-phenylbenzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[4-[3-([1]benzofuro[3,2-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 163660809
6-Anthracen-2-yl-12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(4-phenylphenyl)-12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;6-(3-phenylphenyl)-12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 163665921
CID 163676883
CID 163676883
4-[6-([1]Benzofuro[3,2-b]pyridin-4-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-b]pyridine;4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)-2-quinazolin-2-ylphenyl]-[1]benzofuro[3,2-b]pyridine;4-[7'-([1]benzofuro[3,2-b]pyridin-4-yl)-9,9'-spirobi[fluorene]-2'-yl]-[1]benzofuro[3,2-b]pyridine;4-(10-benzo[g]quinazolin-2-ylanthracen-9-yl)-[1]benzofuro[3,2-b]pyridine;4-[2,5-bis(6-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine;2-[3-[6-(3,5-dipyridin-2-ylphenyl)-9,9-dimethylfluoren-3-yl]-5-pyridin-2-ylphenyl]pyridine;4-pyridin-4-yl-8-[3-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 163677509

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 163653487) is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1ccc(-c2cnc3oc4c(-c5ccc6ccccc6c5)nc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)nc4c3c2)cc1.c1ccc(-c2cnc3oc4c(-c5ccccc5)nc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)nc4c3c2)cc1.c1ccc(-c2cnc3oc4cnc(-c5ccc(-c6ccc7c(c6)c(-c6ccccc6)nc6c7nc7ccccn76)cc5)nc4c3c2)cc1.c1ccc(-c2cnc3oc4cnc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)nc4c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)c5oc6ncccc6c5n4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccccc5)c5oc6ncccc6c5n4)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is IOFFMBGYLZRBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N6O.C42H26N6O.C41H24N6O.C40H24N6O.2C36H22N6O/c1-4-12-29(13-5-1)37-27-38-40-41(53-46(38)47-28-37)39(36-25-20-30-14-10-11-19-35(30)26-36)48-42(49-40)33-21-23-34(24-22-33)45-51-43(31-15-6-2-7-16-31)50-44(52-45)32-17-8-3-9-18-32;1-5-13-27(14-6-1)33-25-34-36-37(49-42(34)43-26-33)35(28-15-7-2-8-16-28)44-38(45-36)31-21-23-32(24-22-31)41-47-39(29-17-9-3-10-18-29)46-40(48-41)30-19-11-4-12-20-30;1-3-9-25(10-4-1)30-22-33-37-34(48-41(33)43-23-30)24-42-39(45-37)28-16-14-26(15-17-28)29-18-19-31-32(21-29)36(27-11-5-2-6-12-27)46-40-38(31)44-35-13-7-8-20-47(35)40;1-3-11-26(12-4-1)37-44-38(27-13-5-2-6-14-27)46-39(45-37)29-20-18-28(19-21-29)36-42-33(31-22-17-25-10-7-8-15-30(25)24-31)35-34(43-36)32-16-9-23-41-40(32)47-35;1-4-11-23(12-5-1)29-31-30(28-17-10-22-37-36(28)43-31)39-32(38-29)26-18-20-27(21-19-26)35-41-33(24-13-6-2-7-14-24)40-34(42-35)25-15-8-3-9-16-25;1-4-10-23(11-5-1)28-20-29-31-30(43-36(29)38-21-28)22-37-32(39-31)26-16-18-27(19-17-26)35-41-33(24-12-6-2-7-13-24)40-34(42-35)25-14-8-3-9-15-25/h1-28H;1-26H;1-24H;1-24H;2*1-22H.
What are the key properties of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 3642.06 g/mol, XLogP of 56.88, 31 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-phenyl-4-[4-(8-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-5-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 163653487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).