4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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

C244H148N36O6 — CID 163422178

IUPAC4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6c(-c7ccccc7)nc(-c7ccc8ccccc8c7)nc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6c(-c7ccccc7)nc(-c7ccccc7)nc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6c(-c7ccccc7)ncnc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6cnc(-c7ccc8cc9ccccc9cc8c7)nc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6cnc(-c7ccc8ccccc8c7)nc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6cnc(-c7ccccc7)nc6c5c4)cc3)n2)cc1
InChIInChI=1S/C46H28N6O.C44H26N6O.C42H26N6O.C40H24N6O.2C36H22N6O/c1-4-13-31(14-5-1)39-41-40(49-45(48-39)36-25-22-29-12-10-11-19-35(29)26-36)38-27-37(28-47-46(38)53-41)30-20-23-34(24-21-30)44-51-42(32-15-6-2-7-16-32)50-43(52-44)33-17-8-3-9-18-33;1-3-9-28(10-4-1)41-48-42(29-11-5-2-6-12-29)50-43(49-41)30-17-15-27(16-18-30)36-24-37-39-38(51-44(37)46-25-36)26-45-40(47-39)34-20-19-33-21-31-13-7-8-14-32(31)22-35(33)23-34;1-5-13-28(14-6-1)35-37-36(45-38(44-35)29-15-7-2-8-16-29)34-25-33(26-43-42(34)49-37)27-21-23-32(24-22-27)41-47-39(30-17-9-3-10-18-30)46-40(48-41)31-19-11-4-12-20-31;1-3-10-27(11-4-1)37-44-38(28-12-5-2-6-13-28)46-39(45-37)29-18-15-26(16-19-29)32-22-33-35-34(47-40(33)42-23-32)24-41-36(43-35)31-20-17-25-9-7-8-14-30(25)21-31;1-4-10-24(11-5-1)30-32-31(39-22-38-30)29-20-28(21-37-36(29)43-32)23-16-18-27(19-17-23)35-41-33(25-12-6-2-7-13-25)40-34(42-35)26-14-8-3-9-15-26;1-4-10-24(11-5-1)32-37-22-30-31(39-32)29-20-28(21-38-36(29)43-30)23-16-18-27(19-17-23)35-41-33(25-12-6-2-7-13-25)40-34(42-35)26-14-8-3-9-15-26/h1-28H;1-26H;1-26H;1-24H;2*1-22H
InChIKeyAJJOSUSDXOKIFJ-UHFFFAOYSA-N
MW3680.11 g/mol
LogP57.69
Rot. Bonds32

About 4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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 (PubChem CID 163422178) has the molecular formula C244H148N36O6 and a molecular weight of 3680.11 g/mol. Its IUPAC name is 4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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.

Molecular Properties

Compound Name4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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
PubChem CID163422178
Molecular FormulaC244H148N36O6
Molecular Weight3680.11 g/mol
Exact Mass3677.24
IUPAC Name4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6c(-c7ccccc7)nc(-c7ccc8ccccc8c7)nc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6c(-c7ccccc7)nc(-c7ccccc7)nc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6c(-c7ccccc7)ncnc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6cnc(-c7ccc8cc9ccccc9cc8c7)nc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6cnc(-c7ccc8ccccc8c7)nc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6cnc(-c7ccccc7)nc6c5c4)cc3)n2)cc1
InChIInChI=1S/C46H28N6O.C44H26N6O.C42H26N6O.C40H24N6O.2C36H22N6O/c1-4-13-31(14-5-1)39-41-40(49-45(48-39)36-25-22-29-12-10-11-19-35(29)26-36)38-27-37(28-47-46(38)53-41)30-20-23-34(24-21-30)44-51-42(32-15-6-2-7-16-32)50-43(52-44)33-17-8-3-9-18-33;1-3-9-28(10-4-1)41-48-42(29-11-5-2-6-12-29)50-43(49-41)30-17-15-27(16-18-30)36-24-37-39-38(51-44(37)46-25-36)26-45-40(47-39)34-20-19-33-21-31-13-7-8-14-32(31)22-35(33)23-34;1-5-13-28(14-6-1)35-37-36(45-38(44-35)29-15-7-2-8-16-29)34-25-33(26-43-42(34)49-37)27-21-23-32(24-22-27)41-47-39(30-17-9-3-10-18-30)46-40(48-41)31-19-11-4-12-20-31;1-3-10-27(11-4-1)37-44-38(28-12-5-2-6-13-28)46-39(45-37)29-18-15-26(16-19-29)32-22-33-35-34(47-40(33)42-23-32)24-41-36(43-35)31-20-17-25-9-7-8-14-30(25)21-31;1-4-10-24(11-5-1)30-32-31(39-22-38-30)29-20-28(21-37-36(29)43-32)23-16-18-27(19-17-23)35-41-33(25-12-6-2-7-13-25)40-34(42-35)26-14-8-3-9-15-26;1-4-10-24(11-5-1)32-37-22-30-31(39-32)29-20-28(21-38-36(29)43-30)23-16-18-27(19-17-23)35-41-33(25-12-6-2-7-13-25)40-34(42-35)26-14-8-3-9-15-26/h1-28H;1-26H;1-26H;1-24H;2*1-22H
InChIKeyAJJOSUSDXOKIFJ-UHFFFAOYSA-N
XLogP57.69
TPSA542.88 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds32
Heavy Atoms286
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003680.11
LogP ≤ 557.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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?
The IUPAC name of 4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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 (CID 163422178) is 4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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.
What is the SMILES notation for 4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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?
The canonical SMILES for 4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6c(-c7ccccc7)nc(-c7ccc8ccccc8c7)nc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6c(-c7ccccc7)nc(-c7ccccc7)nc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6c(-c7ccccc7)ncnc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6cnc(-c7ccc8cc9ccccc9cc8c7)nc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6cnc(-c7ccc8ccccc8c7)nc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cnc5oc6cnc(-c7ccccc7)nc6c5c4)cc3)n2)cc1.
What is the InChIKey of 4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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?
The InChIKey is AJJOSUSDXOKIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N6O.C44H26N6O.C42H26N6O.C40H24N6O.2C36H22N6O/c1-4-13-31(14-5-1)39-41-40(49-45(48-39)36-25-22-29-12-10-11-19-35(29)26-36)38-27-37(28-47-46(38)53-41)30-20-23-34(24-21-30)44-51-42(32-15-6-2-7-16-32)50-43(52-44)33-17-8-3-9-18-33;1-3-9-28(10-4-1)41-48-42(29-11-5-2-6-12-29)50-43(49-41)30-17-15-27(16-18-30)36-24-37-39-38(51-44(37)46-25-36)26-45-40(47-39)34-20-19-33-21-31-13-7-8-14-32(31)22-35(33)23-34;1-5-13-28(14-6-1)35-37-36(45-38(44-35)29-15-7-2-8-16-29)34-25-33(26-43-42(34)49-37)27-21-23-32(24-22-27)41-47-39(30-17-9-3-10-18-30)46-40(48-41)31-19-11-4-12-20-31;1-3-10-27(11-4-1)37-44-38(28-12-5-2-6-13-28)46-39(45-37)29-18-15-26(16-19-29)32-22-33-35-34(47-40(33)42-23-32)24-41-36(43-35)31-20-17-25-9-7-8-14-30(25)21-31;1-4-10-24(11-5-1)30-32-31(39-22-38-30)29-20-28(21-37-36(29)43-32)23-16-18-27(19-17-23)35-41-33(25-12-6-2-7-13-25)40-34(42-35)26-14-8-3-9-15-26;1-4-10-24(11-5-1)32-37-22-30-31(39-32)29-20-28(21-38-36(29)43-30)23-16-18-27(19-17-23)35-41-33(25-12-6-2-7-13-25)40-34(42-35)26-14-8-3-9-15-26/h1-28H;1-26H;1-26H;1-24H;2*1-22H.
What are the key properties of 4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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 has a molecular weight of 3680.11 g/mol, XLogP of 57.69, 32 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[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 is sourced from PubChem (CID 163422178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).