14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

C213H129N19O4S — CID 158263744

IUPAC14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
SMILESc1cc(-c2cccc(-c3nc4ccccc4c4c3ccc3c5ccccc5oc34)c2)cc(-c2cc(-c3ccncc3)nc(-c3cccnc3)c2)c1.c1cc(-c2cccc(-c3nc4ccccc4c4c3ccc3c5ccccc5sc34)c2)cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)c1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)c4)c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3cccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3cccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)c3)n2)nc1
InChIInChI=1S/2C46H28N4O.C46H28N4S.C40H24N4O.C35H21N3O/c1-3-15-40-38(14-1)44-39(18-17-37-36-13-2-4-16-43(36)51-46(37)44)45(50-40)33-11-6-9-31(25-33)30-8-5-10-32(24-30)35-26-41(29-19-22-47-23-20-29)49-42(27-35)34-12-7-21-48-28-34;1-3-17-38-36(16-1)44-37(22-21-35-34-15-2-4-20-43(34)51-46(35)44)45(50-38)32-14-10-12-30(26-32)29-11-9-13-31(25-29)33-27-41(39-18-5-7-23-47-39)49-42(28-33)40-19-6-8-24-48-40;1-3-13-40-38(12-1)44-39(16-15-37-36-11-2-4-14-43(36)51-46(37)44)45(50-40)34-10-6-8-32(26-34)31-7-5-9-33(25-31)35-27-41(29-17-21-47-22-18-29)49-42(28-35)30-19-23-48-24-20-30;1-3-14-32-30(13-1)38-31(19-18-29-28-12-2-4-17-37(28)45-40(29)38)39(44-32)26-11-9-10-25(22-26)27-23-35(33-15-5-7-20-41-33)43-36(24-27)34-16-6-8-21-42-34;1-3-13-29-26(12-1)33-27(19-18-25-24-11-2-4-17-32(24)39-35(25)33)34(38-29)23-10-7-9-22(21-23)28-15-8-16-31(37-28)30-14-5-6-20-36-30/h3*1-28H;1-24H;1-21H
InChIKeyGIENHSUBWBAPJE-UHFFFAOYSA-N
MW3050.57 g/mol
LogP55.11
Rot. Bonds22

About 14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (PubChem CID 158263744) has the molecular formula C213H129N19O4S and a molecular weight of 3050.57 g/mol. Its IUPAC name is 14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

Molecular Properties

Compound Name14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
PubChem CID158263744
Molecular FormulaC213H129N19O4S
Molecular Weight3050.57 g/mol
Exact Mass3048.02
IUPAC Name14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
SMILESc1cc(-c2cccc(-c3nc4ccccc4c4c3ccc3c5ccccc5oc34)c2)cc(-c2cc(-c3ccncc3)nc(-c3cccnc3)c2)c1.c1cc(-c2cccc(-c3nc4ccccc4c4c3ccc3c5ccccc5sc34)c2)cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)c1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)c4)c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3cccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3cccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)c3)n2)nc1
InChIInChI=1S/2C46H28N4O.C46H28N4S.C40H24N4O.C35H21N3O/c1-3-15-40-38(14-1)44-39(18-17-37-36-13-2-4-16-43(36)51-46(37)44)45(50-40)33-11-6-9-31(25-33)30-8-5-10-32(24-30)35-26-41(29-19-22-47-23-20-29)49-42(27-35)34-12-7-21-48-28-34;1-3-17-38-36(16-1)44-37(22-21-35-34-15-2-4-20-43(34)51-46(35)44)45(50-38)32-14-10-12-30(26-32)29-11-9-13-31(25-29)33-27-41(39-18-5-7-23-47-39)49-42(28-33)40-19-6-8-24-48-40;1-3-13-40-38(12-1)44-39(16-15-37-36-11-2-4-14-43(36)51-46(37)44)45(50-40)34-10-6-8-32(26-34)31-7-5-9-33(25-31)35-27-41(29-17-21-47-22-18-29)49-42(28-35)30-19-23-48-24-20-30;1-3-14-32-30(13-1)38-31(19-18-29-28-12-2-4-17-37(28)45-40(29)38)39(44-32)26-11-9-10-25(22-26)27-23-35(33-15-5-7-20-41-33)43-36(24-27)34-16-6-8-21-42-34;1-3-13-29-26(12-1)33-27(19-18-25-24-11-2-4-17-32(24)39-35(25)33)34(38-29)23-10-7-9-22(21-23)28-15-8-16-31(37-28)30-14-5-6-20-36-30/h3*1-28H;1-24H;1-21H
InChIKeyGIENHSUBWBAPJE-UHFFFAOYSA-N
XLogP55.11
TPSA297.47 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms237
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003050.57
LogP ≤ 555.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The IUPAC name of 14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (CID 158263744) is 14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.
What is the SMILES notation for 14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The canonical SMILES for 14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is c1cc(-c2cccc(-c3nc4ccccc4c4c3ccc3c5ccccc5oc34)c2)cc(-c2cc(-c3ccncc3)nc(-c3cccnc3)c2)c1.c1cc(-c2cccc(-c3nc4ccccc4c4c3ccc3c5ccccc5sc34)c2)cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)c1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc6ccccc6c6c5ccc5c7ccccc7oc56)c4)c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3cccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)c3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3cccc(-c4nc5ccccc5c5c4ccc4c6ccccc6oc45)c3)n2)nc1.
What is the InChIKey of 14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The InChIKey is GIENHSUBWBAPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N4O.C46H28N4S.C40H24N4O.C35H21N3O/c1-3-15-40-38(14-1)44-39(18-17-37-36-13-2-4-16-43(36)51-46(37)44)45(50-40)33-11-6-9-31(25-33)30-8-5-10-32(24-30)35-26-41(29-19-22-47-23-20-29)49-42(27-35)34-12-7-21-48-28-34;1-3-17-38-36(16-1)44-37(22-21-35-34-15-2-4-20-43(34)51-46(35)44)45(50-38)32-14-10-12-30(26-32)29-11-9-13-31(25-29)33-27-41(39-18-5-7-23-47-39)49-42(28-33)40-19-6-8-24-48-40;1-3-13-40-38(12-1)44-39(16-15-37-36-11-2-4-14-43(36)51-46(37)44)45(50-40)34-10-6-8-32(26-34)31-7-5-9-33(25-31)35-27-41(29-17-21-47-22-18-29)49-42(28-35)30-19-23-48-24-20-30;1-3-14-32-30(13-1)38-31(19-18-29-28-12-2-4-17-37(28)45-40(29)38)39(44-32)26-11-9-10-25(22-26)27-23-35(33-15-5-7-20-41-33)43-36(24-27)34-16-6-8-21-42-34;1-3-13-29-26(12-1)33-27(19-18-25-24-11-2-4-17-32(24)39-35(25)33)34(38-29)23-10-7-9-22(21-23)28-15-8-16-31(37-28)30-14-5-6-20-36-30/h3*1-28H;1-24H;1-21H.
What are the key properties of 14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene has a molecular weight of 3050.57 g/mol, XLogP of 55.11, 22 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[3-(2-pyridin-3-yl-6-pyridin-4-yl-4-pyridinyl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 158263744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).