10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne

C124H90F3N9O2Pd3 — CID 158860699

IUPAC10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1ccnc(-c2[c-]c(-n3c4ccccc4c4cccnc43)ccc2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1ccnc(-c2[c-]c(N3c4ccccc4Oc4cccnc43)ccc2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1ccnc(-c2[c-]c3c(cc2)Oc2ccccc2N3c2ccccn2)c1.[C-]#CC(F)(F)F.[C-]#CCCC.[C-]#Cc1ccccc1.[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/2C36H26N3O.C36H26N3.C8H5.C5H7.C3F3.3Pd/c1-24-20-29(26-10-4-3-5-11-26)21-25(2)35(24)28-17-19-37-31(23-28)27-12-8-13-30(22-27)39-32-14-6-7-15-33(32)40-34-16-9-18-38-36(34)39;1-24-20-29(26-10-4-3-5-11-26)21-25(2)36(24)28-17-19-37-30(22-28)27-15-16-34-32(23-27)39(35-14-8-9-18-38-35)31-12-6-7-13-33(31)40-34;1-24-20-29(26-10-4-3-5-11-26)21-25(2)35(24)28-17-19-37-33(23-28)27-12-8-13-30(22-27)39-34-16-7-6-14-31(34)32-15-9-18-38-36(32)39;1-2-8-6-4-3-5-7-8;1-3-5-4-2;1-2-3(4,5)6;;;/h3-21,23H,1-2H3;3-22H,1-2H3;3-21,23H,1-2H3;3-7H;3,5H2,1H3;;;;/q6*-1;3*+2
InChIKeyXVGQQSJJWRZMJJ-UHFFFAOYSA-N
MW2114.40 g/mol
LogP32.06
Rot. Bonds13

About 10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne

10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne (PubChem CID 158860699) has the molecular formula C124H90F3N9O2Pd3 and a molecular weight of 2114.40 g/mol. Its IUPAC name is 10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne.

Molecular Properties

Compound Name10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne
PubChem CID158860699
Molecular FormulaC124H90F3N9O2Pd3
Molecular Weight2114.40 g/mol
Exact Mass2111.43
IUPAC Name10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1ccnc(-c2[c-]c(-n3c4ccccc4c4cccnc43)ccc2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1ccnc(-c2[c-]c(N3c4ccccc4Oc4cccnc43)ccc2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1ccnc(-c2[c-]c3c(cc2)Oc2ccccc2N3c2ccccn2)c1.[C-]#CC(F)(F)F.[C-]#CCCC.[C-]#Cc1ccccc1.[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/2C36H26N3O.C36H26N3.C8H5.C5H7.C3F3.3Pd/c1-24-20-29(26-10-4-3-5-11-26)21-25(2)35(24)28-17-19-37-31(23-28)27-12-8-13-30(22-27)39-32-14-6-7-15-33(32)40-34-16-9-18-38-36(34)39;1-24-20-29(26-10-4-3-5-11-26)21-25(2)36(24)28-17-19-37-30(22-28)27-15-16-34-32(23-27)39(35-14-8-9-18-38-35)31-12-6-7-13-33(31)40-34;1-24-20-29(26-10-4-3-5-11-26)21-25(2)35(24)28-17-19-37-33(23-28)27-12-8-13-30(22-27)39-34-16-7-6-14-31(34)32-15-9-18-38-36(32)39;1-2-8-6-4-3-5-7-8;1-3-5-4-2;1-2-3(4,5)6;;;/h3-21,23H,1-2H3;3-22H,1-2H3;3-21,23H,1-2H3;3-7H;3,5H2,1H3;;;;/q6*-1;3*+2
InChIKeyXVGQQSJJWRZMJJ-UHFFFAOYSA-N
XLogP32.06
TPSA107.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002114.40
LogP ≤ 532.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne?
The IUPAC name of 10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne (CID 158860699) is 10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne.
What is the SMILES notation for 10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne?
The canonical SMILES for 10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne is Cc1cc(-c2ccccc2)cc(C)c1-c1ccnc(-c2[c-]c(-n3c4ccccc4c4cccnc43)ccc2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1ccnc(-c2[c-]c(N3c4ccccc4Oc4cccnc43)ccc2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1ccnc(-c2[c-]c3c(cc2)Oc2ccccc2N3c2ccccn2)c1.[C-]#CC(F)(F)F.[C-]#CCCC.[C-]#Cc1ccccc1.[Pd+2].[Pd+2].[Pd+2].
What is the InChIKey of 10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne?
The InChIKey is XVGQQSJJWRZMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H26N3O.C36H26N3.C8H5.C5H7.C3F3.3Pd/c1-24-20-29(26-10-4-3-5-11-26)21-25(2)35(24)28-17-19-37-31(23-28)27-12-8-13-30(22-27)39-32-14-6-7-15-33(32)40-34-16-9-18-38-36(34)39;1-24-20-29(26-10-4-3-5-11-26)21-25(2)36(24)28-17-19-37-30(22-28)27-15-16-34-32(23-27)39(35-14-8-9-18-38-35)31-12-6-7-13-33(31)40-34;1-24-20-29(26-10-4-3-5-11-26)21-25(2)35(24)28-17-19-37-33(23-28)27-12-8-13-30(22-27)39-34-16-7-6-14-31(34)32-15-9-18-38-36(32)39;1-2-8-6-4-3-5-7-8;1-3-5-4-2;1-2-3(4,5)6;;;/h3-21,23H,1-2H3;3-22H,1-2H3;3-21,23H,1-2H3;3-7H;3,5H2,1H3;;;;/q6*-1;3*+2.
What are the key properties of 10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne?
10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne has a molecular weight of 2114.40 g/mol, XLogP of 32.06, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;ethynylbenzene;tris(palladium(2+));pent-1-yne;3,3,3-trifluoroprop-1-yne is sourced from PubChem (CID 158860699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).