CID 154599696

C37H23N3Pt — CID 154599696

IUPAC—
SMILES[Pt+2].[c-]1c(-c2ccccn2)ccc2c1C(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C=C2
InChIInChI=1S/C37H23N3.Pt/c1-2-10-29-25(9-1)15-16-26-17-18-27(33-12-5-7-21-38-33)23-32(26)37(29)28-19-20-31-30-11-3-4-13-34(30)40(35(31)24-28)36-14-6-8-22-39-36;/h1-22,37H;/q-2;+2
InChIKeySGHTZKJKRDRDMO-UHFFFAOYSA-N
MW704.69 g/mol
LogP8.50
Rot. Bonds3

About CID 154599696

CID 154599696 (PubChem CID 154599696) has the molecular formula C37H23N3Pt and a molecular weight of 704.69 g/mol.

Molecular Properties

Compound NameCID 154599696
PubChem CID154599696
Molecular FormulaC37H23N3Pt
Molecular Weight704.69 g/mol
Exact Mass704.15
IUPAC Name—
SMILES[Pt+2].[c-]1c(-c2ccccn2)ccc2c1C(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C=C2
InChIInChI=1S/C37H23N3.Pt/c1-2-10-29-25(9-1)15-16-26-17-18-27(33-12-5-7-21-38-33)23-32(26)37(29)28-19-20-31-30-11-3-4-13-34(30)40(35(31)24-28)36-14-6-8-22-39-36;/h1-22,37H;/q-2;+2
InChIKeySGHTZKJKRDRDMO-UHFFFAOYSA-N
XLogP8.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.69
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 164701917
CID 164701917
platinum(2+);5-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 168810845
platinum(2+);9-pyridin-2-yl-2-(5-pyridin-2-yloxy-4H-pyridin-4-id-3-yl)-1H-carbazol-1-ide
CID 153421571
CID 164701894
CID 164701894
acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+)
CID 163770103
platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide
CID 153465712
2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 90089781
2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide
CID 159726041
1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)
CID 171769510
2-[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 153421938
5-carbazol-9-yl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole;5-carbazol-9-yl-2-[9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;5-carbazol-9-yl-2-[9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;5-carbazol-9-yl-2-[3-(2-pyridin-2-yloxy-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]-1,3-thiazole;tetrakis(platinum(2+))
CID 158191012
2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 164737867

Frequently Asked Questions

What is the IUPAC name of CID 154599696?
The IUPAC name of CID 154599696 (CID 154599696) is not available.
What is the SMILES notation for CID 154599696?
The canonical SMILES for CID 154599696 is [Pt+2].[c-]1c(-c2ccccn2)ccc2c1C(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C=C2.
What is the InChIKey of CID 154599696?
The InChIKey is SGHTZKJKRDRDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3.Pt/c1-2-10-29-25(9-1)15-16-26-17-18-27(33-12-5-7-21-38-33)23-32(26)37(29)28-19-20-31-30-11-3-4-13-34(30)40(35(31)24-28)36-14-6-8-22-39-36;/h1-22,37H;/q-2;+2.
What are the key properties of CID 154599696?
CID 154599696 has a molecular weight of 704.69 g/mol, XLogP of 8.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154599696 is sourced from PubChem (CID 154599696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).