bis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+)

C52H42N4Pt — CID 58251406

IUPACbis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+)
SMILESC/C(=N\c1ccccc1)c1[c-]ccc(N(c2ccccc2)c2ccccc2)c1.C/C(=N\c1ccccc1)c1[c-]ccc(N(c2ccccc2)c2ccccc2)c1.[Pt+2]
InChIInChI=1S/2C26H21N2.Pt/c2*1-21(27-23-13-5-2-6-14-23)22-12-11-19-26(20-22)28(24-15-7-3-8-16-24)25-17-9-4-10-18-25;/h2*2-11,13-20H,1H3;/q2*-1;+2/b2*27-21+;
InChIKeyKPKRPOYHMQBRGG-AIZYIASBSA-N
MW918.01 g/mol
LogP14.19
Rot. Bonds10

About bis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+)

bis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+) (PubChem CID 58251406) has the molecular formula C52H42N4Pt and a molecular weight of 918.01 g/mol. Its IUPAC name is bis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+).

Molecular Properties

Compound Namebis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+)
PubChem CID58251406
Molecular FormulaC52H42N4Pt
Molecular Weight918.01 g/mol
Exact Mass917.31
IUPAC Namebis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+)
SMILESC/C(=N\c1ccccc1)c1[c-]ccc(N(c2ccccc2)c2ccccc2)c1.C/C(=N\c1ccccc1)c1[c-]ccc(N(c2ccccc2)c2ccccc2)c1.[Pt+2]
InChIInChI=1S/2C26H21N2.Pt/c2*1-21(27-23-13-5-2-6-14-23)22-12-11-19-26(20-22)28(24-15-7-3-8-16-24)25-17-9-4-10-18-25;/h2*2-11,13-20H,1H3;/q2*-1;+2/b2*27-21+;
InChIKeyKPKRPOYHMQBRGG-AIZYIASBSA-N
XLogP14.19
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.01
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

bis(N,N-diphenyl-3-(phenyliminomethyl)benzene-4-id-1-amine);platinum(2+)
CID 58251458
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine
CID 58390255
4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline
CID 134172989
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
4-N-[4-[N-[4-[bis[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]methylideneamino]phenyl]-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-[N-[4-[bis[4-(N-phenylanilino)phenyl]methylideneamino]phenyl]-C-[4-(N-phenylanilino)phenyl]carbonimidoyl]-N,N-diphenylaniline
CID 160656529
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
3,5-dimethyl-N,N-diphenylaniline
CID 10516410
1-[4-methyl-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;neodymium(3+);trichloride
CID 173244518
N,N-diphenylaniline;silane
CID 131739129
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144

Frequently Asked Questions

What is the IUPAC name of bis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+)?
The IUPAC name of bis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+) (CID 58251406) is bis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+).
What is the SMILES notation for bis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+)?
The canonical SMILES for bis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+) is C/C(=N\c1ccccc1)c1[c-]ccc(N(c2ccccc2)c2ccccc2)c1.C/C(=N\c1ccccc1)c1[c-]ccc(N(c2ccccc2)c2ccccc2)c1.[Pt+2].
What is the InChIKey of bis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+)?
The InChIKey is KPKRPOYHMQBRGG-AIZYIASBSA-N. The full InChI is InChI=1S/2C26H21N2.Pt/c2*1-21(27-23-13-5-2-6-14-23)22-12-11-19-26(20-22)28(24-15-7-3-8-16-24)25-17-9-4-10-18-25;/h2*2-11,13-20H,1H3;/q2*-1;+2/b2*27-21+;.
What are the key properties of bis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+)?
bis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+) has a molecular weight of 918.01 g/mol, XLogP of 14.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(C-methyl-N-phenylcarbonimidoyl)-N,N-diphenylbenzene-4-id-1-amine);platinum(2+) is sourced from PubChem (CID 58251406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).