9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+)

C42H26N4Pt+2 — CID 71478787

IUPAC9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+)
SMILES[Pt+2].c1ccc2nc(-c3ccc4c5ccccc5n(-c5ccc6c7ccccc7n(-c7nccc8ccccc78)c6c5)c4c3)ccc2c1
InChIInChI=1S/C42H26N4.Pt/c1-3-11-31-27(9-1)23-24-43-42(31)46-39-16-8-5-13-33(39)35-21-19-30(26-41(35)46)45-38-15-7-4-12-32(38)34-20-17-29(25-40(34)45)37-22-18-28-10-2-6-14-36(28)44-37;/h1-26H;/q;+2
InChIKeyOGVKHCNJADTEBB-UHFFFAOYSA-N
MW781.78 g/mol
LogP10.64
Rot. Bonds3

About 9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+)

9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+) (PubChem CID 71478787) has the molecular formula C42H26N4Pt+2 and a molecular weight of 781.78 g/mol. Its IUPAC name is 9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+).

Molecular Properties

Compound Name9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+)
PubChem CID71478787
Molecular FormulaC42H26N4Pt+2
Molecular Weight781.78 g/mol
Exact Mass781.18
IUPAC Name9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+)
SMILES[Pt+2].c1ccc2nc(-c3ccc4c5ccccc5n(-c5ccc6c7ccccc7n(-c7nccc8ccccc78)c6c5)c4c3)ccc2c1
InChIInChI=1S/C42H26N4.Pt/c1-3-11-31-27(9-1)23-24-43-42(31)46-39-16-8-5-13-33(39)35-21-19-30(26-41(35)46)45-38-15-7-4-12-32(38)34-20-17-29(25-40(34)45)37-22-18-28-10-2-6-14-36(28)44-37;/h1-26H;/q;+2
InChIKeyOGVKHCNJADTEBB-UHFFFAOYSA-N
XLogP10.64
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.78
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

platinum(2+);9-pyridin-2-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole
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3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole
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11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine
CID 140683290
5-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]-3-quinoxalin-2-ylbenzo[b]carbazole
CID 153465705
9-phenyl-3-(3-quinolin-2-ylphenyl)carbazole
CID 157225211
3,6-diphenyl-9-(3-quinolin-2-ylphenyl)carbazole
CID 170191453
9-dibenzofuran-3-yl-14-isoquinolin-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122594875
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole
CID 168797170
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole
CID 118508713

Frequently Asked Questions

What is the IUPAC name of 9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+)?
The IUPAC name of 9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+) (CID 71478787) is 9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+).
What is the SMILES notation for 9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+)?
The canonical SMILES for 9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+) is [Pt+2].c1ccc2nc(-c3ccc4c5ccccc5n(-c5ccc6c7ccccc7n(-c7nccc8ccccc78)c6c5)c4c3)ccc2c1.
What is the InChIKey of 9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+)?
The InChIKey is OGVKHCNJADTEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4.Pt/c1-3-11-31-27(9-1)23-24-43-42(31)46-39-16-8-5-13-33(39)35-21-19-30(26-41(35)46)45-38-15-7-4-12-32(38)34-20-17-29(25-40(34)45)37-22-18-28-10-2-6-14-36(28)44-37;/h1-26H;/q;+2.
What are the key properties of 9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+)?
9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+) has a molecular weight of 781.78 g/mol, XLogP of 10.64, 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-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+) is sourced from PubChem (CID 71478787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).