platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide

C41H23N5Pt — CID 153465712

IUPACplatinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide
SMILES[Pt+2].[c-]1c(-c2cnc3ccccc3n2)ccc2c3cc4ccccc4cc3n(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)c12
InChIInChI=1S/C41H23N5.Pt/c1-2-10-27-22-39-33(21-26(27)9-1)32-18-16-28(36-25-43-34-12-4-5-13-35(34)44-36)23-38(32)45(39)29-17-19-31-30-11-3-6-14-37(30)46(40(31)24-29)41-15-7-8-20-42-41;/h1-22,25H;/q-2;+2
InChIKeyRTPJQPWIXPAEJK-UHFFFAOYSA-N
MW780.75 g/mol
LogP9.64
Rot. Bonds3

About platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide

platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide (PubChem CID 153465712) has the molecular formula C41H23N5Pt and a molecular weight of 780.75 g/mol. Its IUPAC name is platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide.

Molecular Properties

Compound Nameplatinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide
PubChem CID153465712
Molecular FormulaC41H23N5Pt
Molecular Weight780.75 g/mol
Exact Mass780.16
IUPAC Nameplatinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide
SMILES[Pt+2].[c-]1c(-c2cnc3ccccc3n2)ccc2c3cc4ccccc4cc3n(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)c12
InChIInChI=1S/C41H23N5.Pt/c1-2-10-27-22-39-33(21-26(27)9-1)32-18-16-28(36-25-43-34-12-4-5-13-35(34)44-36)23-38(32)45(39)29-17-19-31-30-11-3-6-14-37(30)46(40(31)24-29)41-15-7-8-20-42-41;/h1-22,25H;/q-2;+2
InChIKeyRTPJQPWIXPAEJK-UHFFFAOYSA-N
XLogP9.64
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.75
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 153465681
CID 153465681
CID 164701917
CID 164701917
CID 160977316
CID 160977316
CID 153465649
CID 153465649
platinum(2+);2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide
CID 164707171
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990
24-phenyl-3-pyridin-2-yl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122465004
ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide
CID 158051724
5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole
CID 153465705
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
2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 153285204
CID 158797986
CID 158797986

Frequently Asked Questions

What is the IUPAC name of platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide?
The IUPAC name of 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) is platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide.
What is the SMILES notation for platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide?
The canonical SMILES for platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide is [Pt+2].[c-]1c(-c2cnc3ccccc3n2)ccc2c3cc4ccccc4cc3n(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)c12.
What is the InChIKey of platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide?
The InChIKey is RTPJQPWIXPAEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N5.Pt/c1-2-10-27-22-39-33(21-26(27)9-1)32-18-16-28(36-25-43-34-12-4-5-13-35(34)44-36)23-38(32)45(39)29-17-19-31-30-11-3-6-14-37(30)46(40(31)24-29)41-15-7-8-20-42-41;/h1-22,25H;/q-2;+2.
What are the key properties of platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide?
platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide has a molecular weight of 780.75 g/mol, XLogP of 9.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-3-quinoxalin-2-yl-4H-benzo[b]carbazol-4-ide is sourced from PubChem (CID 153465712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).