4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+)

C46H29N9Pt — CID 177080361

IUPAC4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+)
SMILES[Pt+2].[c-]1c(N(c2[c-]c(-n3cccn3)ccc2)c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)n2)cccc1-n1cccn1
InChIInChI=1S/C46H29N9.Pt/c1-5-21-40-36(17-1)37-18-2-6-22-41(37)54(40)44-31-45(55-42-23-7-3-19-38(42)39-20-4-8-24-43(39)55)50-46(49-44)53(34-15-9-13-32(29-34)51-27-11-25-47-51)35-16-10-14-33(30-35)52-28-12-26-48-52;/h1-28,31H;/q-2;+2
InChIKeyFNAKVFOPYFBOSD-UHFFFAOYSA-N
MW902.88 g/mol
LogP10.11
Rot. Bonds7

About 4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+)

4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+) (PubChem CID 177080361) has the molecular formula C46H29N9Pt and a molecular weight of 902.88 g/mol. Its IUPAC name is 4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+).

Molecular Properties

Compound Name4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+)
PubChem CID177080361
Molecular FormulaC46H29N9Pt
Molecular Weight902.88 g/mol
Exact Mass902.22
IUPAC Name4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+)
SMILES[Pt+2].[c-]1c(N(c2[c-]c(-n3cccn3)ccc2)c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)n2)cccc1-n1cccn1
InChIInChI=1S/C46H29N9.Pt/c1-5-21-40-36(17-1)37-18-2-6-22-41(37)54(40)44-31-45(55-42-23-7-3-19-38(42)39-20-4-8-24-43(39)55)50-46(49-44)53(34-15-9-13-32(29-34)51-27-11-25-47-51)35-16-10-14-33(30-35)52-28-12-26-48-52;/h1-28,31H;/q-2;+2
InChIKeyFNAKVFOPYFBOSD-UHFFFAOYSA-N
XLogP10.11
TPSA74.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.88
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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CID 58704277
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CID 86342842
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CID 157186260
9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine
CID 126631519
2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)
CID 160599862
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+)
CID 167382684
N-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum
CID 162465237

Frequently Asked Questions

What is the IUPAC name of 4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+)?
The IUPAC name of 4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+) (CID 177080361) is 4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+).
What is the SMILES notation for 4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+)?
The canonical SMILES for 4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+) is [Pt+2].[c-]1c(N(c2[c-]c(-n3cccn3)ccc2)c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)n2)cccc1-n1cccn1.
What is the InChIKey of 4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+)?
The InChIKey is FNAKVFOPYFBOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N9.Pt/c1-5-21-40-36(17-1)37-18-2-6-22-41(37)54(40)44-31-45(55-42-23-7-3-19-38(42)39-20-4-8-24-43(39)55)50-46(49-44)53(34-15-9-13-32(29-34)51-27-11-25-47-51)35-16-10-14-33(30-35)52-28-12-26-48-52;/h1-28,31H;/q-2;+2.
What are the key properties of 4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+)?
4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+) has a molecular weight of 902.88 g/mol, XLogP of 10.11, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+) is sourced from PubChem (CID 177080361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).