9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene]

C165H116N16Pt4 — CID 158942104

IUPAC9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene]
SMILESCCC1(CC)c2ccc(-c3ccccn3)[c-]c2N(c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)c2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C21CCCC1.[c-]1c(-c2ccccn2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C21CCCCC1.[c-]1c(-c2ccccn2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C47H28N4.C40H30N4.C39H28N4.C39H30N4.4Pt/c1-4-16-37-33(13-1)34-14-2-5-17-38(34)47(37)39-18-6-8-21-43(39)50(45-29-31(23-26-40(45)47)41-19-9-11-27-48-41)32-24-25-36-35-15-3-7-20-42(35)51(44(36)30-32)46-22-10-12-28-49-46;1-8-22-40(23-9-1)32-13-3-5-16-36(32)43(38-26-28(18-21-33(38)40)34-14-6-10-24-41-34)29-19-20-31-30-12-2-4-15-35(30)44(37(31)27-29)39-17-7-11-25-42-39;1-3-14-34-29(11-1)30-19-18-28(26-36(30)43(34)38-16-6-10-24-41-38)42-35-15-4-2-12-31(35)39(21-7-8-22-39)32-20-17-27(25-37(32)42)33-13-5-9-23-40-33;1-3-39(4-2)31-14-6-8-17-35(31)42(37-25-27(19-22-32(37)39)33-15-9-11-23-40-33)28-20-21-30-29-13-5-7-16-34(29)43(36(30)26-28)38-18-10-12-24-41-38;;;;/h1-28H;2-7,10-21,24-25H,1,8-9,22-23H2;1-6,9-20,23-24H,7-8,21-22H2;5-24H,3-4H2,1-2H3;;;;/q4*-2;4*+2
InChIKeyYWFJXMLNMYCUAR-UHFFFAOYSA-N
MW3103.17 g/mol
LogP40.07
Rot. Bonds14

About 9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene]

9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene] (PubChem CID 158942104) has the molecular formula C165H116N16Pt4 and a molecular weight of 3103.17 g/mol. Its IUPAC name is 9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene].

Molecular Properties

Compound Name9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene]
PubChem CID158942104
Molecular FormulaC165H116N16Pt4
Molecular Weight3103.17 g/mol
Exact Mass3100.82
IUPAC Name9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene]
SMILESCCC1(CC)c2ccc(-c3ccccn3)[c-]c2N(c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)c2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C21CCCC1.[c-]1c(-c2ccccn2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C21CCCCC1.[c-]1c(-c2ccccn2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C47H28N4.C40H30N4.C39H28N4.C39H30N4.4Pt/c1-4-16-37-33(13-1)34-14-2-5-17-38(34)47(37)39-18-6-8-21-43(39)50(45-29-31(23-26-40(45)47)41-19-9-11-27-48-41)32-24-25-36-35-15-3-7-20-42(35)51(44(36)30-32)46-22-10-12-28-49-46;1-8-22-40(23-9-1)32-13-3-5-16-36(32)43(38-26-28(18-21-33(38)40)34-14-6-10-24-41-34)29-19-20-31-30-12-2-4-15-35(30)44(37(31)27-29)39-17-7-11-25-42-39;1-3-14-34-29(11-1)30-19-18-28(26-36(30)43(34)38-16-6-10-24-41-38)42-35-15-4-2-12-31(35)39(21-7-8-22-39)32-20-17-27(25-37(32)42)33-13-5-9-23-40-33;1-3-39(4-2)31-14-6-8-17-35(31)42(37-25-27(19-22-32(37)39)33-15-9-11-23-40-33)28-20-21-30-29-13-5-7-16-34(29)43(36(30)26-28)38-18-10-12-24-41-38;;;;/h1-28H;2-7,10-21,24-25H,1,8-9,22-23H2;1-6,9-20,23-24H,7-8,21-22H2;5-24H,3-4H2,1-2H3;;;;/q4*-2;4*+2
InChIKeyYWFJXMLNMYCUAR-UHFFFAOYSA-N
XLogP40.07
TPSA135.80 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003103.17
LogP ≤ 540.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene] with MolForge

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Related Compounds

CID 162118924
CID 162118924
CID 164701917
CID 164701917
9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 160772927
CID 157162947
CID 157162947
9,9-dimethyl-10-pyridin-2-yl-3-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-4H-acridin-4-ide;platinum(2+)
CID 167377749
9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;methane;pentakis(platinum(2+));2-pyridin-2-yl-9-[3-(1-pyridin-2-ylcyclobutyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-pyridin-2-yl-9-[3-(1-pyridin-2-ylcyclohexyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-pyridin-2-yl-9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-pyridin-2-yl-9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide
CID 161267763
2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide
CID 159726041
9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 160772929
CID 164701894
CID 164701894
2-bromo-9-pyridin-2-ylcarbazole;9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine;platinum(2+)
CID 161238129
5-(2,6-dimethylphenyl)-2-(10-pyridin-2-ylspiro[4H-acridin-4-ide-9,9'-fluorene]-3-yl)quinolin-8-ol;platinum
CID 171579845
CID 158797986
CID 158797986

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene]?
The IUPAC name of 9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene] (CID 158942104) is 9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene].
What is the SMILES notation for 9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene]?
The canonical SMILES for 9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene] is CCC1(CC)c2ccc(-c3ccccn3)[c-]c2N(c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)c2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C21CCCC1.[c-]1c(-c2ccccn2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C21CCCCC1.[c-]1c(-c2ccccn2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene]?
The InChIKey is YWFJXMLNMYCUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4.C40H30N4.C39H28N4.C39H30N4.4Pt/c1-4-16-37-33(13-1)34-14-2-5-17-38(34)47(37)39-18-6-8-21-43(39)50(45-29-31(23-26-40(45)47)41-19-9-11-27-48-41)32-24-25-36-35-15-3-7-20-42(35)51(44(36)30-32)46-22-10-12-28-49-46;1-8-22-40(23-9-1)32-13-3-5-16-36(32)43(38-26-28(18-21-33(38)40)34-14-6-10-24-41-34)29-19-20-31-30-12-2-4-15-35(30)44(37(31)27-29)39-17-7-11-25-42-39;1-3-14-34-29(11-1)30-19-18-28(26-36(30)43(34)38-16-6-10-24-41-38)42-35-15-4-2-12-31(35)39(21-7-8-22-39)32-20-17-27(25-37(32)42)33-13-5-9-23-40-33;1-3-39(4-2)31-14-6-8-17-35(31)42(37-25-27(19-22-32(37)39)33-15-9-11-23-40-33)28-20-21-30-29-13-5-7-16-34(29)43(36(30)26-28)38-18-10-12-24-41-38;;;;/h1-28H;2-7,10-21,24-25H,1,8-9,22-23H2;1-6,9-20,23-24H,7-8,21-22H2;5-24H,3-4H2,1-2H3;;;;/q4*-2;4*+2.
What are the key properties of 9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene]?
9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene] has a molecular weight of 3103.17 g/mol, XLogP of 40.07, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-4H-acridin-4-ide;tetrakis(platinum(2+));3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclohexane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,1'-cyclopentane];3-pyridin-2-yl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)spiro[4H-acridin-4-ide-9,9'-fluorene] is sourced from PubChem (CID 158942104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).