N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+)

C32H21N5Pt — CID 58704277

IUPACN,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+)
SMILES[Pt+2].[c-]1c(N(c2[c-]c(-n3cccn3)ccc2)c2c3ccccc3cc3ccccc23)cccc1-n1cccn1
InChIInChI=1S/C32H21N5.Pt/c1-3-15-30-24(9-1)21-25-10-2-4-16-31(25)32(30)37(28-13-5-11-26(22-28)35-19-7-17-33-35)29-14-6-12-27(23-29)36-20-8-18-34-36;/h1-21H;/q-2;+2
InChIKeySNLJFACWTBTNNW-UHFFFAOYSA-N
MW670.63 g/mol
LogP7.43
Rot. Bonds5

About N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+)

N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+) (PubChem CID 58704277) has the molecular formula C32H21N5Pt and a molecular weight of 670.63 g/mol. Its IUPAC name is N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+).

Molecular Properties

Compound NameN,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+)
PubChem CID58704277
Molecular FormulaC32H21N5Pt
Molecular Weight670.63 g/mol
Exact Mass670.14
IUPAC NameN,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+)
SMILES[Pt+2].[c-]1c(N(c2[c-]c(-n3cccn3)ccc2)c2c3ccccc3cc3ccccc23)cccc1-n1cccn1
InChIInChI=1S/C32H21N5.Pt/c1-3-15-30-24(9-1)21-25-10-2-4-16-31(25)32(30)37(28-13-5-11-26(22-28)35-19-7-17-33-35)29-14-6-12-27(23-29)36-20-8-18-34-36;/h1-21H;/q-2;+2
InChIKeySNLJFACWTBTNNW-UHFFFAOYSA-N
XLogP7.43
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.63
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4,6-di(carbazol-9-yl)-N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrimidin-2-amine;platinum(2+)
CID 177080361
N-phenyl-6-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)
CID 58704209
3-(1,2-benzothiazol-3-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
CID 58704281
6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)
CID 58704096
CID 157186260
CID 157186260
2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 140729303
1-(3H-dibenzothiophen-3-id-2-yl)pyrazole;iridium
CID 59858882
1-(7H-1-benzofuran-7-id-6-yl)pyrazole;iridium
CID 59858931
3-ethyl-1-pyrazol-1-ylisoquinoline
CID 58621090
zinc;1-[anthracen-9-yl(pyrazol-1-yl)methyl]pyrazole;dichloride
CID 78427435
2-isocyano-3,3-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)prop-2-enenitrile;platinum(2+)
CID 58704401
10-N,10-N,18-N,18-N-tetraphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
CID 146526978

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+)?
The IUPAC name of N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+) (CID 58704277) is N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+).
What is the SMILES notation for N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+)?
The canonical SMILES for N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+) is [Pt+2].[c-]1c(N(c2[c-]c(-n3cccn3)ccc2)c2c3ccccc3cc3ccccc23)cccc1-n1cccn1.
What is the InChIKey of N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+)?
The InChIKey is SNLJFACWTBTNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N5.Pt/c1-3-15-30-24(9-1)21-25-10-2-4-16-31(25)32(30)37(28-13-5-11-26(22-28)35-19-7-17-33-35)29-14-6-12-27(23-29)36-20-8-18-34-36;/h1-21H;/q-2;+2.
What are the key properties of N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+)?
N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+) has a molecular weight of 670.63 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-pyrazol-1-ylbenzene-2-id-1-yl)anthracen-9-amine;platinum(2+) is sourced from PubChem (CID 58704277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).