11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+))

C131H98N12O4Pt4 — CID 158999253

IUPAC11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+))
SMILESCc1ccnc(-c2[c-]c(N3c4[c-]c(-c5cc(C)ccn5)ccc4COc4ccccc43)ccc2)c1.Cc1ccnc(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3cc(-c4ccccc4)ccn3)ccc2)c1.Cc1ccnc(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3cc(C(C)(C)C)ccn3)ccc2)c1.Cc1ccnc(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C36H25N3O.C34H29N3O.C31H23N3O.C30H21N3O.4Pt/c1-25-16-18-37-32(20-25)29-14-15-30-24-40-36-13-6-5-12-34(36)39(35(30)23-29)31-11-7-10-28(21-31)33-22-27(17-19-38-33)26-8-3-2-4-9-26;1-23-14-16-35-29(18-23)25-12-13-26-22-38-33-11-6-5-10-31(33)37(32(26)20-25)28-9-7-8-24(19-28)30-21-27(15-17-36-30)34(2,3)4;1-21-12-14-32-27(16-21)23-6-5-7-26(18-23)34-29-8-3-4-9-31(29)35-20-25-11-10-24(19-30(25)34)28-17-22(2)13-15-33-28;1-21-14-16-32-27(17-21)23-12-13-24-20-34-30-11-3-2-10-28(30)33(29(24)19-23)25-8-6-7-22(18-25)26-9-4-5-15-31-26;;;;/h2-20,22H,24H2,1H3;5-18,21H,22H2,1-4H3;3-17H,20H2,1-2H3;2-17H,20H2,1H3;;;;/q4*-2;4*+2
InChIKeyFDKBSXVBDMZTMQ-UHFFFAOYSA-N
MW2684.62 g/mol
LogP31.59
Rot. Bonds13

About 11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+))

11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+)) (PubChem CID 158999253) has the molecular formula C131H98N12O4Pt4 and a molecular weight of 2684.62 g/mol. Its IUPAC name is 11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+)).

Molecular Properties

Compound Name11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+))
PubChem CID158999253
Molecular FormulaC131H98N12O4Pt4
Molecular Weight2684.62 g/mol
Exact Mass2682.64
IUPAC Name11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+))
SMILESCc1ccnc(-c2[c-]c(N3c4[c-]c(-c5cc(C)ccn5)ccc4COc4ccccc43)ccc2)c1.Cc1ccnc(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3cc(-c4ccccc4)ccn3)ccc2)c1.Cc1ccnc(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3cc(C(C)(C)C)ccn3)ccc2)c1.Cc1ccnc(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C36H25N3O.C34H29N3O.C31H23N3O.C30H21N3O.4Pt/c1-25-16-18-37-32(20-25)29-14-15-30-24-40-36-13-6-5-12-34(36)39(35(30)23-29)31-11-7-10-28(21-31)33-22-27(17-19-38-33)26-8-3-2-4-9-26;1-23-14-16-35-29(18-23)25-12-13-26-22-38-33-11-6-5-10-31(33)37(32(26)20-25)28-9-7-8-24(19-28)30-21-27(15-17-36-30)34(2,3)4;1-21-12-14-32-27(16-21)23-6-5-7-26(18-23)34-29-8-3-4-9-31(29)35-20-25-11-10-24(19-30(25)34)28-17-22(2)13-15-33-28;1-21-14-16-32-27(17-21)23-12-13-24-20-34-30-11-3-2-10-28(30)33(29(24)19-23)25-8-6-7-22(18-25)26-9-4-5-15-31-26;;;;/h2-20,22H,24H2,1H3;5-18,21H,22H2,1-4H3;3-17H,20H2,1-2H3;2-17H,20H2,1H3;;;;/q4*-2;4*+2
InChIKeyFDKBSXVBDMZTMQ-UHFFFAOYSA-N
XLogP31.59
TPSA153.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002684.62
LogP ≤ 531.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+))?
The IUPAC name of 11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+)) (CID 158999253) is 11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+)).
What is the SMILES notation for 11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+))?
The canonical SMILES for 11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+)) is Cc1ccnc(-c2[c-]c(N3c4[c-]c(-c5cc(C)ccn5)ccc4COc4ccccc43)ccc2)c1.Cc1ccnc(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3cc(-c4ccccc4)ccn3)ccc2)c1.Cc1ccnc(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3cc(C(C)(C)C)ccn3)ccc2)c1.Cc1ccnc(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+))?
The InChIKey is FDKBSXVBDMZTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3O.C34H29N3O.C31H23N3O.C30H21N3O.4Pt/c1-25-16-18-37-32(20-25)29-14-15-30-24-40-36-13-6-5-12-34(36)39(35(30)23-29)31-11-7-10-28(21-31)33-22-27(17-19-38-33)26-8-3-2-4-9-26;1-23-14-16-35-29(18-23)25-12-13-26-22-38-33-11-6-5-10-31(33)37(32(26)20-25)28-9-7-8-24(19-28)30-21-27(15-17-36-30)34(2,3)4;1-21-12-14-32-27(16-21)23-6-5-7-26(18-23)34-29-8-3-4-9-31(29)35-20-25-11-10-24(19-30(25)34)28-17-22(2)13-15-33-28;1-21-14-16-32-27(17-21)23-12-13-24-20-34-30-11-3-2-10-28(30)33(29(24)19-23)25-8-6-7-22(18-25)26-9-4-5-15-31-26;;;;/h2-20,22H,24H2,1H3;5-18,21H,22H2,1-4H3;3-17H,20H2,1-2H3;2-17H,20H2,1H3;;;;/q4*-2;4*+2.
What are the key properties of 11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+))?
11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+)) has a molecular weight of 2684.62 g/mol, XLogP of 31.59, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methyl-2-pyridinyl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;tetrakis(platinum(2+)) is sourced from PubChem (CID 158999253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).