5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+))

C197H135N17O7Pd5S — CID 163798240

IUPAC5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+))
SMILESCC1(C)c2cccnc2N(c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2c1ccc1c2c2ccccc2n1-c1ccccc1.CC1(C)c2cccnc2N(c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2c1ccc1c2oc2ccccc21.CC1(C)c2cccnc2N(c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21.CC1(C)c2cccnc2N(c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2c1ccc1oc3ccccc3c21.CC1(C)c2cccnc2N(c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2c1ccc1sc3ccccc3c21.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/2C43H30N4O.2C37H25N3O2.C37H25N3OS.5Pd/c1-43(2)35-23-24-39-40(34-19-6-7-22-38(34)46(39)30-14-4-3-5-15-30)41(35)47(42-36(43)20-12-26-45-42)31-16-11-18-33(28-31)48-32-17-10-13-29(27-32)37-21-8-9-25-44-37;1-43(2)36-24-23-35-34-19-6-7-22-39(34)46(30-14-4-3-5-15-30)40(35)41(36)47(42-37(43)20-12-26-45-42)31-16-11-18-33(28-31)48-32-17-10-13-29(27-32)38-21-8-9-25-44-38;1-37(2)29-18-19-33-34(28-14-3-4-17-32(28)42-33)35(29)40(36-30(37)15-9-21-39-36)25-11-8-13-27(23-25)41-26-12-7-10-24(22-26)31-16-5-6-20-38-31;1-37(2)30-19-18-29-28-14-3-4-17-33(28)42-35(29)34(30)40(36-31(37)15-9-21-39-36)25-11-8-13-27(23-25)41-26-12-7-10-24(22-26)32-16-5-6-20-38-32;1-37(2)29-18-19-33-34(28-14-3-4-17-32(28)42-33)35(29)40(36-30(37)15-9-21-39-36)25-11-8-13-27(23-25)41-26-12-7-10-24(22-26)31-16-5-6-20-38-31;;;;;/h2*3-26H,1-2H3;3*3-21H,1-2H3;;;;;/q5*-2;5*+2
InChIKeySNAUOFNPOMRZQG-UHFFFAOYSA-N
MW3416.53 g/mol
LogP50.58
Rot. Bonds22

About 5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+))

5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+)) (PubChem CID 163798240) has the molecular formula C197H135N17O7Pd5S and a molecular weight of 3416.53 g/mol. Its IUPAC name is 5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+)).

Molecular Properties

Compound Name5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+))
PubChem CID163798240
Molecular FormulaC197H135N17O7Pd5S
Molecular Weight3416.53 g/mol
Exact Mass3411.56
IUPAC Name5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+))
SMILESCC1(C)c2cccnc2N(c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2c1ccc1c2c2ccccc2n1-c1ccccc1.CC1(C)c2cccnc2N(c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2c1ccc1c2oc2ccccc21.CC1(C)c2cccnc2N(c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21.CC1(C)c2cccnc2N(c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2c1ccc1oc3ccccc3c21.CC1(C)c2cccnc2N(c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2c1ccc1sc3ccccc3c21.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/2C43H30N4O.2C37H25N3O2.C37H25N3OS.5Pd/c1-43(2)35-23-24-39-40(34-19-6-7-22-38(34)46(39)30-14-4-3-5-15-30)41(35)47(42-36(43)20-12-26-45-42)31-16-11-18-33(28-31)48-32-17-10-13-29(27-32)37-21-8-9-25-44-37;1-43(2)36-24-23-35-34-19-6-7-22-39(34)46(30-14-4-3-5-15-30)40(35)41(36)47(42-37(43)20-12-26-45-42)31-16-11-18-33(28-31)48-32-17-10-13-29(27-32)38-21-8-9-25-44-38;1-37(2)29-18-19-33-34(28-14-3-4-17-32(28)42-33)35(29)40(36-30(37)15-9-21-39-36)25-11-8-13-27(23-25)41-26-12-7-10-24(22-26)31-16-5-6-20-38-31;1-37(2)30-19-18-29-28-14-3-4-17-33(28)42-35(29)34(30)40(36-31(37)15-9-21-39-36)25-11-8-13-27(23-25)41-26-12-7-10-24(22-26)32-16-5-6-20-38-32;1-37(2)29-18-19-33-34(28-14-3-4-17-32(28)42-33)35(29)40(36-30(37)15-9-21-39-36)25-11-8-13-27(23-25)41-26-12-7-10-24(22-26)31-16-5-6-20-38-31;;;;;/h2*3-26H,1-2H3;3*3-21H,1-2H3;;;;;/q5*-2;5*+2
InChIKeySNAUOFNPOMRZQG-UHFFFAOYSA-N
XLogP50.58
TPSA227.39 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms227
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003416.53
LogP ≤ 550.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+))?
The IUPAC name of 5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+)) (CID 163798240) is 5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+)).
What is the SMILES notation for 5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+))?
The canonical SMILES for 5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+)) is CC1(C)c2cccnc2N(c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2c1ccc1c2c2ccccc2n1-c1ccccc1.CC1(C)c2cccnc2N(c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2c1ccc1c2oc2ccccc21.CC1(C)c2cccnc2N(c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2c1ccc1c3ccccc3n(-c3ccccc3)c21.CC1(C)c2cccnc2N(c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2c1ccc1oc3ccccc3c21.CC1(C)c2cccnc2N(c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)c2c1ccc1sc3ccccc3c21.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].
What is the InChIKey of 5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+))?
The InChIKey is SNAUOFNPOMRZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H30N4O.2C37H25N3O2.C37H25N3OS.5Pd/c1-43(2)35-23-24-39-40(34-19-6-7-22-38(34)46(39)30-14-4-3-5-15-30)41(35)47(42-36(43)20-12-26-45-42)31-16-11-18-33(28-31)48-32-17-10-13-29(27-32)37-21-8-9-25-44-37;1-43(2)36-24-23-35-34-19-6-7-22-39(34)46(30-14-4-3-5-15-30)40(35)41(36)47(42-37(43)20-12-26-45-42)31-16-11-18-33(28-31)48-32-17-10-13-29(27-32)38-21-8-9-25-44-38;1-37(2)29-18-19-33-34(28-14-3-4-17-32(28)42-33)35(29)40(36-30(37)15-9-21-39-36)25-11-8-13-27(23-25)41-26-12-7-10-24(22-26)31-16-5-6-20-38-31;1-37(2)30-19-18-29-28-14-3-4-17-33(28)42-35(29)34(30)40(36-31(37)15-9-21-39-36)25-11-8-13-27(23-25)41-26-12-7-10-24(22-26)32-16-5-6-20-38-32;1-37(2)29-18-19-33-34(28-14-3-4-17-32(28)42-33)35(29)40(36-30(37)15-9-21-39-36)25-11-8-13-27(23-25)41-26-12-7-10-24(22-26)31-16-5-6-20-38-31;;;;;/h2*3-26H,1-2H3;3*3-21H,1-2H3;;;;;/q5*-2;5*+2.
What are the key properties of 5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+))?
5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+)) has a molecular weight of 3416.53 g/mol, XLogP of 50.58, 22 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-12-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[2,3-a]carbazole;5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,8-naphthyridino[3,2-c]carbazole;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-oxa-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-oxa-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;14,14-dimethyl-21-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene;pentakis(palladium(2+)) is sourced from PubChem (CID 163798240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).