9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+)

C42H24N4Pt — CID 164714409

IUPAC9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2nccc3ccccc23)ccc2c3ccccc3n(-c3nccc4ccccc34)c12
InChIInChI=1S/C42H24N4.Pt/c1-3-11-31-27(9-1)21-23-43-41(31)45-37-15-7-5-13-33(37)35-19-17-29(25-39(35)45)30-18-20-36-34-14-6-8-16-38(34)46(40(36)26-30)42-32-12-4-2-10-28(32)22-24-44-42;/h1-24H;/q-2;+2
InChIKeyXVEWTXNIRQTYMJ-UHFFFAOYSA-N
MW779.76 g/mol
LogP10.24
Rot. Bonds3

About 9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+)

9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 164714409) has the molecular formula C42H24N4Pt and a molecular weight of 779.76 g/mol. Its IUPAC name is 9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+)
PubChem CID164714409
Molecular FormulaC42H24N4Pt
Molecular Weight779.76 g/mol
Exact Mass779.16
IUPAC Name9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2nccc3ccccc23)ccc2c3ccccc3n(-c3nccc4ccccc34)c12
InChIInChI=1S/C42H24N4.Pt/c1-3-11-31-27(9-1)21-23-43-41(31)45-37-15-7-5-13-33(37)35-19-17-29(25-39(35)45)30-18-20-36-34-14-6-8-16-38(34)46(40(36)26-30)42-32-12-4-2-10-28(32)22-24-44-42;/h1-24H;/q-2;+2
InChIKeyXVEWTXNIRQTYMJ-UHFFFAOYSA-N
XLogP10.24
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.76
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

9-(3-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 153421950
9-(3-fluoro-2-pyridinyl)-2-[3-[(4-fluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 153421700
9-(3,4-ditert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 153421636
2-[(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)oxy]-7-methyl-4-propan-2-ylquinolin-8-ol;platinum
CID 176605775
9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+)
CID 71478787
(1-carbazol-9-ylisoquinolin-7-yl)-trimethylsilane
CID 153491076
platinum(2+);9-pyridin-2-yl-2-(5-pyridin-2-yloxy-4H-pyridin-4-id-3-yl)-1H-carbazol-1-ide
CID 153421571
2-[2-[3-[[4-(dimethylamino)-2-pyridinyl]sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum(2+)
CID 153420994
9-(5,6-difluoro-2-pyridinyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 153421046
9-(4-methyl-2-pyridinyl)-2-[3-[(3-methyl-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 153421284
platinum;2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]phenol
CID 164823524
platinum(2+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-4-yl-1H-carbazol-1-ide
CID 153421624

Frequently Asked Questions

What is the IUPAC name of 9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+) (CID 164714409) is 9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+) is [Pt+2].[c-]1c(-c2[c-]c3c(cc2)c2ccccc2n3-c2nccc3ccccc23)ccc2c3ccccc3n(-c3nccc4ccccc34)c12.
What is the InChIKey of 9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is XVEWTXNIRQTYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4.Pt/c1-3-11-31-27(9-1)21-23-43-41(31)45-37-15-7-5-13-33(37)35-19-17-29(25-39(35)45)30-18-20-36-34-14-6-8-16-38(34)46(40(36)26-30)42-32-12-4-2-10-28(32)22-24-44-42;/h1-24H;/q-2;+2.
What are the key properties of 9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+)?
9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 779.76 g/mol, XLogP of 10.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 164714409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).