6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

C221H131N21O5S — CID 158343892

IUPAC6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c5oc6c(ccc7c6c6ccccc6n7-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5ccc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7c(ccc8c7c7ccccc7n8-c7ccc8oc9ccccc9c8c7)c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7c(ccc8c7c7ccccc7n8-c7ccc8sc9ccccc9c8c7)c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7c(ccc8c7c7ccccc7n8-c7ccccc7)c6ccc54)cn3)n2)cc1
InChIInChI=1S/C57H33N5O2.C57H33N5OS.C57H35N5O.C50H30N6O/c1-3-13-34(14-4-1)55-58-56(35-15-5-2-6-16-35)60-57(59-55)36-23-25-37(26-24-36)61-45-20-10-7-18-42(45)51-47(61)30-28-40-41-29-31-48-52(54(41)64-53(40)51)43-19-8-11-21-46(43)62(48)38-27-32-50-44(33-38)39-17-9-12-22-49(39)63-50;1-3-13-34(14-4-1)55-58-56(35-15-5-2-6-16-35)60-57(59-55)36-23-25-37(26-24-36)61-45-20-10-7-18-42(45)51-47(61)30-28-40-41-29-31-48-52(54(41)63-53(40)51)43-19-8-11-21-46(43)62(48)38-27-32-50-44(33-38)39-17-9-12-22-49(39)64-50;1-4-14-36(15-5-1)37-24-28-41(29-25-37)61-47-22-12-10-20-45(47)51-49(61)34-32-43-44-33-35-50-52(54(44)63-53(43)51)46-21-11-13-23-48(46)62(50)42-30-26-40(27-31-42)57-59-55(38-16-6-2-7-17-38)58-56(60-57)39-18-8-3-9-19-39;1-4-14-31(15-5-1)48-52-49(32-16-6-2-7-17-32)54-50(53-48)39-27-24-34(30-51-39)56-41-23-13-11-21-38(41)45-43(56)29-26-36-35-25-28-42-44(46(35)57-47(36)45)37-20-10-12-22-40(37)55(42)33-18-8-3-9-19-33/h2*1-33H;1-35H;1-30H
InChIKeyGRMMACNTLBJBQW-UHFFFAOYSA-N
MW3192.69 g/mol
LogP57.19
Rot. Bonds21

About 6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (PubChem CID 158343892) has the molecular formula C221H131N21O5S and a molecular weight of 3192.69 g/mol. Its IUPAC name is 6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
PubChem CID158343892
Molecular FormulaC221H131N21O5S
Molecular Weight3192.69 g/mol
Exact Mass3190.04
IUPAC Name6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c5oc6c(ccc7c6c6ccccc6n7-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5ccc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7c(ccc8c7c7ccccc7n8-c7ccc8oc9ccccc9c8c7)c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7c(ccc8c7c7ccccc7n8-c7ccc8sc9ccccc9c8c7)c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7c(ccc8c7c7ccccc7n8-c7ccccc7)c6ccc54)cn3)n2)cc1
InChIInChI=1S/C57H33N5O2.C57H33N5OS.C57H35N5O.C50H30N6O/c1-3-13-34(14-4-1)55-58-56(35-15-5-2-6-16-35)60-57(59-55)36-23-25-37(26-24-36)61-45-20-10-7-18-42(45)51-47(61)30-28-40-41-29-31-48-52(54(41)64-53(40)51)43-19-8-11-21-46(43)62(48)38-27-32-50-44(33-38)39-17-9-12-22-49(39)63-50;1-3-13-34(14-4-1)55-58-56(35-15-5-2-6-16-35)60-57(59-55)36-23-25-37(26-24-36)61-45-20-10-7-18-42(45)51-47(61)30-28-40-41-29-31-48-52(54(41)63-53(40)51)43-19-8-11-21-46(43)62(48)38-27-32-50-44(33-38)39-17-9-12-22-49(39)64-50;1-4-14-36(15-5-1)37-24-28-41(29-25-37)61-47-22-12-10-20-45(47)51-49(61)34-32-43-44-33-35-50-52(54(44)63-53(43)51)46-21-11-13-23-48(46)62(50)42-30-26-40(27-31-42)57-59-55(38-16-6-2-7-17-38)58-56(60-57)39-18-8-3-9-19-39;1-4-14-31(15-5-1)48-52-49(32-16-6-2-7-17-32)54-50(53-48)39-27-24-34(30-51-39)56-41-23-13-11-21-38(41)45-43(56)29-26-36-35-25-28-42-44(46(35)57-47(36)45)37-20-10-12-22-40(37)55(42)33-18-8-3-9-19-33/h2*1-33H;1-35H;1-30H
InChIKeyGRMMACNTLBJBQW-UHFFFAOYSA-N
XLogP57.19
TPSA272.71 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms248
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003192.69
LogP ≤ 557.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
The IUPAC name of 6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (CID 158343892) is 6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is c1ccc(-c2ccc(-n3c4ccccc4c4c5oc6c(ccc7c6c6ccccc6n7-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5ccc43)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7c(ccc8c7c7ccccc7n8-c7ccc8oc9ccccc9c8c7)c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7c(ccc8c7c7ccccc7n8-c7ccc8sc9ccccc9c8c7)c6ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7c(ccc8c7c7ccccc7n8-c7ccccc7)c6ccc54)cn3)n2)cc1.
What is the InChIKey of 6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
The InChIKey is GRMMACNTLBJBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N5O2.C57H33N5OS.C57H35N5O.C50H30N6O/c1-3-13-34(14-4-1)55-58-56(35-15-5-2-6-16-35)60-57(59-55)36-23-25-37(26-24-36)61-45-20-10-7-18-42(45)51-47(61)30-28-40-41-29-31-48-52(54(41)64-53(40)51)43-19-8-11-21-46(43)62(48)38-27-32-50-44(33-38)39-17-9-12-22-49(39)63-50;1-3-13-34(14-4-1)55-58-56(35-15-5-2-6-16-35)60-57(59-55)36-23-25-37(26-24-36)61-45-20-10-7-18-42(45)51-47(61)30-28-40-41-29-31-48-52(54(41)63-53(40)51)43-19-8-11-21-46(43)62(48)38-27-32-50-44(33-38)39-17-9-12-22-49(39)64-50;1-4-14-36(15-5-1)37-24-28-41(29-25-37)61-47-22-12-10-20-45(47)51-49(61)34-32-43-44-33-35-50-52(54(44)63-53(43)51)46-21-11-13-23-48(46)62(50)42-30-26-40(27-31-42)57-59-55(38-16-6-2-7-17-38)58-56(60-57)39-18-8-3-9-19-39;1-4-14-31(15-5-1)48-52-49(32-16-6-2-7-17-32)54-50(53-48)39-27-24-34(30-51-39)56-41-23-13-11-21-38(41)45-43(56)29-26-36-35-25-28-42-44(46(35)57-47(36)45)37-20-10-12-22-40(37)55(42)33-18-8-3-9-19-33/h2*1-33H;1-35H;1-30H.
What are the key properties of 6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene has a molecular weight of 3192.69 g/mol, XLogP of 57.19, 21 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-dibenzothiophen-2-yl-24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-(4-phenylphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 158343892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).