benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+))

C54H38N4Pt2 — CID 23528042

IUPACbenzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+))
SMILESCc1c(-c2cc(-c3[c-]cccc3)nc(-c3ccc4ccccc4n3)c2C)cc(-c2[c-]cccc2)nc1-c1ccc2ccccc2n1.[Pt+2].[Pt+2].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C42H28N4.2C6H5.2Pt/c1-27-33(25-39(29-13-5-3-6-14-29)45-41(27)37-23-21-31-17-9-11-19-35(31)43-37)34-26-40(30-15-7-4-8-16-30)46-42(28(34)2)38-24-22-32-18-10-12-20-36(32)44-38;2*1-2-4-6-5-3-1;;/h3-13,15,17-26H,1-2H3;2*1-5H;;/q-2;2*-1;2*+2
InChIKeyRIAVWCBRYPAVKG-UHFFFAOYSA-N
MW1133.08 g/mol
LogP13.09
Rot. Bonds5

About benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+))

benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+)) (PubChem CID 23528042) has the molecular formula C54H38N4Pt2 and a molecular weight of 1133.08 g/mol. Its IUPAC name is benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+)).

Molecular Properties

Compound Namebenzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+))
PubChem CID23528042
Molecular FormulaC54H38N4Pt2
Molecular Weight1133.08 g/mol
Exact Mass1132.24
IUPAC Namebenzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+))
SMILESCc1c(-c2cc(-c3[c-]cccc3)nc(-c3ccc4ccccc4n3)c2C)cc(-c2[c-]cccc2)nc1-c1ccc2ccccc2n1.[Pt+2].[Pt+2].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C42H28N4.2C6H5.2Pt/c1-27-33(25-39(29-13-5-3-6-14-29)45-41(27)37-23-21-31-17-9-11-19-35(31)43-37)34-26-40(30-15-7-4-8-16-30)46-42(28(34)2)38-24-22-32-18-10-12-20-36(32)44-38;2*1-2-4-6-5-3-1;;/h3-13,15,17-26H,1-2H3;2*1-5H;;/q-2;2*-1;2*+2
InChIKeyRIAVWCBRYPAVKG-UHFFFAOYSA-N
XLogP13.09
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.08
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+)) with MolForge

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Related Compounds

carbanide;2-phenylquinoline;platinum
CID 21044184
carbanide;iridium;2-phenylquinoline;yttrium
CID 59824492
butan-2-ol;iridium;2-phenylquinoline
CID 155610243
iridium;pent-2-ene-2,4-diol;2-phenylquinoline
CID 146899847
iridium;2-phenylquinoline;1-phenyl-5-(2,4,6-trimethylphenyl)pyrazole
CID 157261228
1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline
CID 140663295
(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium;2-phenylquinoline
CID 155627723
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156
iridium;2-methyl-3-phenyl-6-phenylpyridine
CID 58435059
3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline
CID 54424126
iridium;10-phenyl-11-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 59622068
6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene;platinum
CID 59621960

Frequently Asked Questions

What is the IUPAC name of benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+))?
The IUPAC name of benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+)) (CID 23528042) is benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+)).
What is the SMILES notation for benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+))?
The canonical SMILES for benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+)) is Cc1c(-c2cc(-c3[c-]cccc3)nc(-c3ccc4ccccc4n3)c2C)cc(-c2[c-]cccc2)nc1-c1ccc2ccccc2n1.[Pt+2].[Pt+2].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+))?
The InChIKey is RIAVWCBRYPAVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4.2C6H5.2Pt/c1-27-33(25-39(29-13-5-3-6-14-29)45-41(27)37-23-21-31-17-9-11-19-35(31)43-37)34-26-40(30-15-7-4-8-16-30)46-42(28(34)2)38-24-22-32-18-10-12-20-36(32)44-38;2*1-2-4-6-5-3-1;;/h3-13,15,17-26H,1-2H3;2*1-5H;;/q-2;2*-1;2*+2.
What are the key properties of benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+))?
benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+)) has a molecular weight of 1133.08 g/mol, XLogP of 13.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+)) is sourced from PubChem (CID 23528042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).