2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+)

C48H33N3Pt — CID 140824313

IUPAC2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+)
SMILESCc1cc(C)c(N2c3ccccc3C(c3ccc4ccc5ccc[c-]c5c4n3)(c3ccc4ccc5ccc[c-]c5c4n3)c3ccccc32)c(C)c1.[Pt+2]
InChIInChI=1S/C48H33N3.Pt/c1-30-28-31(2)47(32(3)29-30)51-41-18-10-8-16-39(41)48(40-17-9-11-19-42(40)51,43-26-24-35-22-20-33-12-4-6-14-37(33)45(35)49-43)44-27-25-36-23-21-34-13-5-7-15-38(34)46(36)50-44;/h4-13,16-29H,1-3H3;/q-2;+2
InChIKeyJHMZJMUKFMKHEI-UHFFFAOYSA-N
MW846.89 g/mol
LogP11.78
Rot. Bonds3

About 2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+)

2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+) (PubChem CID 140824313) has the molecular formula C48H33N3Pt and a molecular weight of 846.89 g/mol. Its IUPAC name is 2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+).

Molecular Properties

Compound Name2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+)
PubChem CID140824313
Molecular FormulaC48H33N3Pt
Molecular Weight846.89 g/mol
Exact Mass846.23
IUPAC Name2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+)
SMILESCc1cc(C)c(N2c3ccccc3C(c3ccc4ccc5ccc[c-]c5c4n3)(c3ccc4ccc5ccc[c-]c5c4n3)c3ccccc32)c(C)c1.[Pt+2]
InChIInChI=1S/C48H33N3.Pt/c1-30-28-31(2)47(32(3)29-30)51-41-18-10-8-16-39(41)48(40-17-9-11-19-42(40)51,43-26-24-35-22-20-33-12-4-6-14-37(33)45(35)49-43)44-27-25-36-23-21-34-13-5-7-15-38(34)46(36)50-44;/h4-13,16-29H,1-3H3;/q-2;+2
InChIKeyJHMZJMUKFMKHEI-UHFFFAOYSA-N
XLogP11.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.89
LogP ≤ 511.78
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'}

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Related Compounds

9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine
CID 90268718
9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine
CID 123742097
12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine
CID 59573636
[2-(9,9-dimethylacridin-10-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 177242756
5,7-dimethylspiro[9-azaoctacyclo[15.11.1.12,26.03,8.09,29.010,15.019,28.022,27]triaconta-1(28),2(30),3,5,7,10,12,14,17(29),18,20,22(27),23,25-tetradecaene-16,9'-xanthene]
CID 123954219
beryllium bis(10H-benzo[h]quinolin-10-ide)
CID 156697230
bis(10H-benzo[h]quinolin-10-ide);iridium;10-methylbenzo[h]quinoline
CID 59480620
3-chloro-5-phenyl-1-(2,4,6-trimethylphenyl)-1,2,4-triazole;iridium
CID 155646291
3-methyl-10-(2,4,6-trimethylphenyl)phenoselenazine
CID 59573436
12,12,28,28-tetramethyl-18,22-bis(2,4,6-trimethylphenyl)-1,5-diaza-18,22-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23(35),24,26,29,31,33-pentadecaene
CID 155605463
CID 59380818
CID 59380818
3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+)
CID 140824228

Frequently Asked Questions

What is the IUPAC name of 2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+)?
The IUPAC name of 2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+) (CID 140824313) is 2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+).
What is the SMILES notation for 2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+)?
The canonical SMILES for 2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+) is Cc1cc(C)c(N2c3ccccc3C(c3ccc4ccc5ccc[c-]c5c4n3)(c3ccc4ccc5ccc[c-]c5c4n3)c3ccccc32)c(C)c1.[Pt+2].
What is the InChIKey of 2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+)?
The InChIKey is JHMZJMUKFMKHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3.Pt/c1-30-28-31(2)47(32(3)29-30)51-41-18-10-8-16-39(41)48(40-17-9-11-19-42(40)51,43-26-24-35-22-20-33-12-4-6-14-37(33)45(35)49-43)44-27-25-36-23-21-34-13-5-7-15-38(34)46(36)50-44;/h4-13,16-29H,1-3H3;/q-2;+2.
What are the key properties of 2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+)?
2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+) has a molecular weight of 846.89 g/mol, XLogP of 11.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(10H-benzo[h]quinolin-10-id-2-yl)-10-(2,4,6-trimethylphenyl)acridin-9-yl]-10H-benzo[h]quinolin-10-ide;platinum(2+) is sourced from PubChem (CID 140824313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).