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+)

C87H63BrN12Pt — CID 161238129

IUPAC2-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+)
SMILESBrc1ccc2c3ccccc3n(-c3ccccn3)c2c1.CC1(C)c2ccc(-n3cccn3)[c-]c2N(c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2cc(-n3cccn3)ccc21.[Pt+2]
InChIInChI=1S/C35H27N5.C35H25N5.C17H11BrN2.Pt/c2*1-35(2)28-11-4-6-13-31(28)39(33-22-24(16-18-29(33)35)38-21-9-20-37-38)25-15-17-27-26-10-3-5-12-30(26)40(32(27)23-25)34-14-7-8-19-36-34;18-12-8-9-14-13-5-1-2-6-15(13)20(16(14)11-12)17-7-3-4-10-19-17;/h3-23H,1-2H3;3-21H,1-2H3;1-11H;/q;-2;;+2
InChIKeyIAXPYIWXSBNVSV-UHFFFAOYSA-N
MW1551.53 g/mol
LogP21.49
Rot. Bonds7

About 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+)

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+) (PubChem CID 161238129) has the molecular formula C87H63BrN12Pt and a molecular weight of 1551.53 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name2-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+)
PubChem CID161238129
Molecular FormulaC87H63BrN12Pt
Molecular Weight1551.53 g/mol
Exact Mass1549.41
IUPAC Name2-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+)
SMILESBrc1ccc2c3ccccc3n(-c3ccccn3)c2c1.CC1(C)c2ccc(-n3cccn3)[c-]c2N(c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2cc(-n3cccn3)ccc21.[Pt+2]
InChIInChI=1S/C35H27N5.C35H25N5.C17H11BrN2.Pt/c2*1-35(2)28-11-4-6-13-31(28)39(33-22-24(16-18-29(33)35)38-21-9-20-37-38)25-15-17-27-26-10-3-5-12-30(26)40(32(27)23-25)34-14-7-8-19-36-34;18-12-8-9-14-13-5-1-2-6-15(13)20(16(14)11-12)17-7-3-4-10-19-17;/h3-23H,1-2H3;3-21H,1-2H3;1-11H;/q;-2;;+2
InChIKeyIAXPYIWXSBNVSV-UHFFFAOYSA-N
XLogP21.49
TPSA95.58 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001551.53
LogP ≤ 521.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 118539189
CID 159011443
CID 159011443
9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 157160442
CID 162235932
CID 162235932
CID 162118924
CID 162118924
2-bromo-4-methylpyridine;methane;(methylhydrazinylidene)platinum;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)
CID 161132484
CID 158350475
CID 158350475
3-[1-(2,6-dimethyl-4-phenylphenyl)imidazol-2-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 140709626
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
CID 157126786
CID 157126786
14-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21,21-dimethyl-10-pyridin-2-yl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 158958133
3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 140709598

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is Brc1ccc2c3ccccc3n(-c3ccccn3)c2c1.CC1(C)c2ccc(-n3cccn3)[c-]c2N(c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2cc(-n3cccn3)ccc21.[Pt+2].
What is the InChIKey of 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+)?
The InChIKey is IAXPYIWXSBNVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N5.C35H25N5.C17H11BrN2.Pt/c2*1-35(2)28-11-4-6-13-31(28)39(33-22-24(16-18-29(33)35)38-21-9-20-37-38)25-15-17-27-26-10-3-5-12-30(26)40(32(27)23-25)34-14-7-8-19-36-34;18-12-8-9-14-13-5-1-2-6-15(13)20(16(14)11-12)17-7-3-4-10-19-17;/h3-23H,1-2H3;3-21H,1-2H3;1-11H;/q;-2;;+2.
What are the key properties of 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+)?
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+) has a molecular weight of 1551.53 g/mol, XLogP of 21.49, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 161238129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).