benzene;2-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+))

C54H38N4Pt2 — CID 21024853

IUPACbenzene;2-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+))
SMILESCc1c(-c2ccc3ccccc3n2)[c-]c(-c2ccccn2)cc1-c1cc(-c2ccccn2)[c-]c(-c2ccc3ccccc3n2)c1C.[Pt+2].[Pt+2].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C42H28N4.2C6H5.2Pt/c1-27-33(23-31(37-13-7-9-21-43-37)25-35(27)41-19-17-29-11-3-5-15-39(29)45-41)34-24-32(38-14-8-10-22-44-38)26-36(28(34)2)42-20-18-30-12-4-6-16-40(30)46-42;2*1-2-4-6-5-3-1;;/h3-24H,1-2H3;2*1-5H;;/q-2;2*-1;2*+2
InChIKeyPRFFNTIDDGELOT-UHFFFAOYSA-N
MW1133.08 g/mol
LogP13.09
Rot. Bonds5

About benzene;2-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+))

benzene;2-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+)) (PubChem CID 21024853) has the molecular formula C54H38N4Pt2 and a molecular weight of 1133.08 g/mol. Its IUPAC name is benzene;2-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+)).

Molecular Properties

Compound Namebenzene;2-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+))
PubChem CID21024853
Molecular FormulaC54H38N4Pt2
Molecular Weight1133.08 g/mol
Exact Mass1132.24
IUPAC Namebenzene;2-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+))
SMILESCc1c(-c2ccc3ccccc3n2)[c-]c(-c2ccccn2)cc1-c1cc(-c2ccccn2)[c-]c(-c2ccc3ccccc3n2)c1C.[Pt+2].[Pt+2].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C42H28N4.2C6H5.2Pt/c1-27-33(23-31(37-13-7-9-21-43-37)25-35(27)41-19-17-29-11-3-5-15-39(29)45-41)34-24-32(38-14-8-10-22-44-38)26-36(28(34)2)42-20-18-30-12-4-6-16-40(30)46-42;2*1-2-4-6-5-3-1;;/h3-24H,1-2H3;2*1-5H;;/q-2;2*-1;2*+2
InChIKeyPRFFNTIDDGELOT-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-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+)) with MolForge

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Launch Full Analysis

Related Compounds

Usambarensine
CID 5281413
2-Methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186429
9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline
CID 46223113
9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline
CID 46223112
2-Methyl-9-[9-(2-methylpyrido[3,4-b]indol-2-ium-9-yl)nonyl]pyrido[3,4-b]indol-2-ium diiodide
CID 46223338
2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]-beta-carboline-2-ium diiodide
CID 46223339
2-Methyl-5-[7-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)heptyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186425
2-Methyl-5-[8-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)octyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186427
2-Methyl-9-[9-(2-methyl-1,2,3,4-tetrahydro-beta-carboline-9-yl)nonyl]-1,2,3,4-tetrahydro-beta-carboline
CID 46222450
1-Pentyl-3-[(1-pentylindol-1-ium-3-ylidene)-(1-pentylindol-3-yl)methyl]indole
CID 52948379
5-(9-Pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole
CID 122186421
2-methyl-5-[9-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)nonyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 122186442

Frequently Asked Questions

What is the IUPAC name of benzene;2-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+))?
The IUPAC name of benzene;2-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+)) (CID 21024853) is benzene;2-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+)).
What is the SMILES notation for benzene;2-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+))?
The canonical SMILES for benzene;2-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+)) is Cc1c(-c2ccc3ccccc3n2)[c-]c(-c2ccccn2)cc1-c1cc(-c2ccccn2)[c-]c(-c2ccc3ccccc3n2)c1C.[Pt+2].[Pt+2].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;2-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+))?
The InChIKey is PRFFNTIDDGELOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4.2C6H5.2Pt/c1-27-33(23-31(37-13-7-9-21-43-37)25-35(27)41-19-17-29-11-3-5-15-39(29)45-41)34-24-32(38-14-8-10-22-44-38)26-36(28(34)2)42-20-18-30-12-4-6-16-40(30)46-42;2*1-2-4-6-5-3-1;;/h3-24H,1-2H3;2*1-5H;;/q-2;2*-1;2*+2.
What are the key properties of benzene;2-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+))?
benzene;2-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]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-[2-methyl-3-(2-methyl-5-pyridin-2-yl-3-quinolin-2-ylbenzene-4-id-1-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]quinoline;bis(platinum(2+)) is sourced from PubChem (CID 21024853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).