11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum

C37H28N5OPt- — CID 154599686

IUPAC11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum
SMILES[Pt].[c-]1c(Oc2cccc(N3c4ccccc4CCc4cccnc43)n2)cccc1N1c2ccccc2CCc2cccnc21
InChIInChI=1S/C37H28N5O.Pt/c1-3-15-32-26(9-1)19-21-28-11-7-23-38-36(28)41(32)30-13-5-14-31(25-30)43-35-18-6-17-34(40-35)42-33-16-4-2-10-27(33)20-22-29-12-8-24-39-37(29)42;/h1-18,23-24H,19-22H2;/q-1;
InChIKeyNDMBNNOUIKRQJC-UHFFFAOYSA-N
MW753.74 g/mol
LogP8.60
Rot. Bonds4

About 11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum

11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum (PubChem CID 154599686) has the molecular formula C37H28N5OPt- and a molecular weight of 753.74 g/mol. Its IUPAC name is 11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum.

Molecular Properties

Compound Name11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum
PubChem CID154599686
Molecular FormulaC37H28N5OPt-
Molecular Weight753.74 g/mol
Exact Mass753.19
IUPAC Name11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum
SMILES[Pt].[c-]1c(Oc2cccc(N3c4ccccc4CCc4cccnc43)n2)cccc1N1c2ccccc2CCc2cccnc21
InChIInChI=1S/C37H28N5O.Pt/c1-3-15-32-26(9-1)19-21-28-11-7-23-38-36(28)41(32)30-13-5-14-31(25-30)43-35-18-6-17-34(40-35)42-33-16-4-2-10-27(33)20-22-29-12-8-24-39-37(29)42;/h1-18,23-24H,19-22H2;/q-1;
InChIKeyNDMBNNOUIKRQJC-UHFFFAOYSA-N
XLogP8.60
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.74
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum with MolForge

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Launch Full Analysis

Related Compounds

11-pyridin-2-yl-5,6-dihydrobenzo[b][1]benzazepine
CID 132545002
iridium(3+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-6-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine
CID 140597838
2-benzo[b][1]benzazepin-11-id-1-yl-11-(6-pyridin-2-yloxy-2-pyridinyl)-1H-benzo[b][1]benzazepin-1-ide;2-[(6-benzo[b][1]benzazepin-11-id-1-yl-2-pyridinyl)oxy]-11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-ide;10-(6-benzo[b][1]benzazepin-11-id-1-yl-2-pyridinyl)-1-pyridin-2-yloxybenzo[b][1]benzazepin-11-ide;ethane;tetrakis(platinum(2+));11-[11-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-id-2-yl]pyrido[2,3-b][1]benzazepine
CID 158280191
2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 59573750
1-methyl-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)
CID 164809152
10-[3-[2-(9H-acridin-10-yl)-3-pyridinyl]-2-pyridinyl]-9H-acridine
CID 140910342
2-(1-methyl-3H-indol-1-ium-4-yl)-11-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-5,6-dihydropyrido[2,3-b][1]benzazepine
CID 140690619
2-benzo[b][1]benzazepin-11-id-1-yl-11-(6-pyridin-2-yloxy-2-pyridinyl)-1H-benzo[b][1]benzazepin-1-ide;2-[(6-benzo[b][1]benzazepin-11-id-1-yl-2-pyridinyl)oxy]-11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-ide;10-(6-benzo[b][1]benzazepin-11-id-1-yl-2-pyridinyl)-1-pyridin-2-yloxybenzo[b][1]benzazepin-11-ide;11-(6-benzo[b][1]benzazepin-11-id-1-yl-2-pyridinyl)-2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-ide;ethane;nonakis(platinum(2+));11-[3-[(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;11-[11-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-id-2-yl]pyrido[2,3-b][1]benzazepine;11-[1-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzo[b][1]benzazepin-11-id-10-yl]pyrido[2,3-b][1]benzazepine;11-[3-(1-pyridin-2-yloxybenzo[b][1]benzazepin-11-id-10-yl)benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine;11-[3-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzene-2-id-1-yl]pyrido[2,3-b][1]benzazepine
CID 159612077
11-(4-methylphenyl)-5,6-dihydropyrazino[2,3-b][1]benzazepine
CID 134949882
platinum(2+);8-[3-[3-(1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-8-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene
CID 169289277
5-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-10,10-diphenyl-3-pyridin-2-yloxy-4H-benzo[b][1,4]benzazagermin-4-ide;platinum
CID 153494980
platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-5,6-dihydro-1H-benzimidazolo[2,1-a]isoquinolin-1-ide
CID 162492167

Frequently Asked Questions

What is the IUPAC name of 11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum?
The IUPAC name of 11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum (CID 154599686) is 11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum.
What is the SMILES notation for 11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum?
The canonical SMILES for 11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum is [Pt].[c-]1c(Oc2cccc(N3c4ccccc4CCc4cccnc43)n2)cccc1N1c2ccccc2CCc2cccnc21.
What is the InChIKey of 11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum?
The InChIKey is NDMBNNOUIKRQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N5O.Pt/c1-3-15-32-26(9-1)19-21-28-11-7-23-38-36(28)41(32)30-13-5-14-31(25-30)43-35-18-6-17-34(40-35)42-33-16-4-2-10-27(33)20-22-29-12-8-24-39-37(29)42;/h1-18,23-24H,19-22H2;/q-1;.
What are the key properties of 11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum?
11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum has a molecular weight of 753.74 g/mol, XLogP of 8.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[6-[3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)benzene-2-id-1-yl]oxy-2-pyridinyl]-5,6-dihydropyrido[2,3-b][1]benzazepine;platinum is sourced from PubChem (CID 154599686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).