7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+)

C48H42N2OPt — CID 156667187

IUPAC7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+)
SMILESCC(C)(C)Cc1cccc2c1ccc1ccnc(-c3[c-]c(Oc4[c-]c(-c5nccc6ccc7c(CC(C)(C)C)cccc7c56)ccc4)ccc3)c12.[Pt+2]
InChIInChI=1S/C48H42N2O.Pt/c1-47(2,3)29-35-13-9-17-41-39(35)21-19-31-23-25-49-45(43(31)41)33-11-7-15-37(27-33)51-38-16-8-12-34(28-38)46-44-32(24-26-50-46)20-22-40-36(30-48(4,5)6)14-10-18-42(40)44;/h7-26H,29-30H2,1-6H3;/q-2;+2
InChIKeyGXMOXNRETDKHCJ-UHFFFAOYSA-N
MW857.95 g/mol
LogP12.99
Rot. Bonds6

About 7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+)

7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+) (PubChem CID 156667187) has the molecular formula C48H42N2OPt and a molecular weight of 857.95 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+).

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+)
PubChem CID156667187
Molecular FormulaC48H42N2OPt
Molecular Weight857.95 g/mol
Exact Mass857.29
IUPAC Name7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+)
SMILESCC(C)(C)Cc1cccc2c1ccc1ccnc(-c3[c-]c(Oc4[c-]c(-c5nccc6ccc7c(CC(C)(C)C)cccc7c56)ccc4)ccc3)c12.[Pt+2]
InChIInChI=1S/C48H42N2O.Pt/c1-47(2,3)29-35-13-9-17-41-39(35)21-19-31-23-25-49-45(43(31)41)33-11-7-15-37(27-33)51-38-16-8-12-34(28-38)46-44-32(24-26-50-46)20-22-40-36(30-48(4,5)6)14-10-18-42(40)44;/h7-26H,29-30H2,1-6H3;/q-2;+2
InChIKeyGXMOXNRETDKHCJ-UHFFFAOYSA-N
XLogP12.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.95
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+) with MolForge

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Related Compounds

3-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)isoquinoline
CID 155908903
3-(4-(3,5-Di-t-butylphenyl)-6-(naphthalen-2-yl)pyridin-2-yl)isoquinoline
CID 59863406
4-[3-[3,5-Bis(4-tert-butylphenyl)cyclohexa-1,5-dien-1-yl]-5-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-1-[4-(trifluoromethoxy)benzene-6-id-1-yl]isoquinoline;iridium
CID 59512855
4-[[6-(3-Fluoro-2-pyridinyl)-1,4,4-trimethyl-2,3-dihydronaphthalen-1-yl]methyl]-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)isoquinoline
CID 123643523
2-(4-Fluoro-3-methylphenyl)-4-(2-naphthalen-1-ylbenzo[f]isoquinolin-9-yl)benzo[f]isoquinoline
CID 143802573
4-[2-Tert-butyl-10-(4,8-dihydropyren-1-yl)anthracen-9-yl]pyrene;3-(10-isoquinolin-3-yl-2-methylanthracen-9-yl)isoquinoline;2-methyl-9,10-bis[4-(trifluoromethyl)phenyl]anthracene
CID 160585927
1-[3-[3,5-Bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;1-[3-[3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)phenyl]-5-fluorobenzene-6-id-1-yl]-4a,8a-dihydroisoquinoline;1-[3-[3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)phenyl]-5-fluorobenzene-6-id-1-yl]isoquinoline;4-[3-[3,5-bis(4-tert-butylphenyl)cyclohexa-1,5-dien-1-yl]-5-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-1-[4-(trifluoromethoxy)benzene-6-id-1-yl]isoquinoline;tetrakis(iridium)
CID 161183182
Platinum(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine
CID 164939603
7-[3-Tert-butyl-5-[3-tert-butyl-5-[2-[3-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+)
CID 168123916
3-Methyl-7-[3-[3-[2-[3-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+)
CID 168123952
7-[3-tert-butyl-5-[[4-(4-tert-butyl-2-pyridinyl)-3H-dibenzoselenophen-3-id-2-yl]oxy]benzene-6-id-1-yl]-3-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]selenopheno[2,3-c]pyridine;platinum(2+)
CID 168123968
6-[3-Methyl-5-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-selena-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+)
CID 169025586

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+)?
The IUPAC name of 7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+) (CID 156667187) is 7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+).
What is the SMILES notation for 7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+)?
The canonical SMILES for 7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+) is CC(C)(C)Cc1cccc2c1ccc1ccnc(-c3[c-]c(Oc4[c-]c(-c5nccc6ccc7c(CC(C)(C)C)cccc7c56)ccc4)ccc3)c12.[Pt+2].
What is the InChIKey of 7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+)?
The InChIKey is GXMOXNRETDKHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2O.Pt/c1-47(2,3)29-35-13-9-17-41-39(35)21-19-31-23-25-49-45(43(31)41)33-11-7-15-37(27-33)51-38-16-8-12-34(28-38)46-44-32(24-26-50-46)20-22-40-36(30-48(4,5)6)14-10-18-42(40)44;/h7-26H,29-30H2,1-6H3;/q-2;+2.
What are the key properties of 7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+)?
7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+) has a molecular weight of 857.95 g/mol, XLogP of 12.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-1-[3-[3-[7-(2,2-dimethylpropyl)benzo[h]isoquinolin-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[h]isoquinoline;platinum(2+) is sourced from PubChem (CID 156667187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).