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+)

C37H26N4Pt — CID 167377749

IUPAC9,9-dimethyl-10-pyridin-2-yl-3-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-4H-acridin-4-ide;platinum(2+)
SMILESCC1(C)c2ccc(-c3[c-]c(-n4c5ccccc5c5cccnc54)ccc3)[c-]c2N(c2ccccn2)c2ccccc21.[Pt+2]
InChIInChI=1S/C37H26N4.Pt/c1-37(2)30-15-4-6-17-33(30)41(35-18-7-8-21-38-35)34-24-26(19-20-31(34)37)25-11-9-12-27(23-25)40-32-16-5-3-13-28(32)29-14-10-22-39-36(29)40;/h3-22H,1-2H3;/q-2;+2
InChIKeyONBYYIHJLJUAMP-UHFFFAOYSA-N
MW721.72 g/mol
LogP8.95
Rot. Bonds3

About 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+)

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+) (PubChem CID 167377749) has the molecular formula C37H26N4Pt and a molecular weight of 721.72 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name9,9-dimethyl-10-pyridin-2-yl-3-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-4H-acridin-4-ide;platinum(2+)
PubChem CID167377749
Molecular FormulaC37H26N4Pt
Molecular Weight721.72 g/mol
Exact Mass721.18
IUPAC Name9,9-dimethyl-10-pyridin-2-yl-3-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-4H-acridin-4-ide;platinum(2+)
SMILESCC1(C)c2ccc(-c3[c-]c(-n4c5ccccc5c5cccnc54)ccc3)[c-]c2N(c2ccccn2)c2ccccc21.[Pt+2]
InChIInChI=1S/C37H26N4.Pt/c1-37(2)30-15-4-6-17-33(30)41(35-18-7-8-21-38-35)34-24-26(19-20-31(34)37)25-11-9-12-27(23-25)40-32-16-5-3-13-28(32)29-14-10-22-39-36(29)40;/h3-22H,1-2H3;/q-2;+2
InChIKeyONBYYIHJLJUAMP-UHFFFAOYSA-N
XLogP8.95
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.72
LogP ≤ 58.95
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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Related Compounds

CID 157162947
CID 157162947
CID 162235932
CID 162235932
CID 162118924
CID 162118924
CID 158350475
CID 158350475
CID 157305239
CID 157305239
CID 159267154
CID 159267154
9,9-dimethyl-10-pyridin-2-yl-3-[3-pyrido[2,3-b]indol-9-yl-5-(trifluoromethyl)phenyl]acridine
CID 167377760
CID 160838183
CID 160838183
3-(2-carbazol-9-id-1-yl-1-dibenzofuran-4-ylbenzimidazol-4-yl)-9,9-dimethyl-10-pyridin-2-yl-4H-acridin-4-ide;platinum(2+)
CID 176642861
CID 157308888
CID 157308888
CID 155773497
CID 155773497
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

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is CC1(C)c2ccc(-c3[c-]c(-n4c5ccccc5c5cccnc54)ccc3)[c-]c2N(c2ccccn2)c2ccccc21.[Pt+2].
What is the InChIKey of 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+)?
The InChIKey is ONBYYIHJLJUAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N4.Pt/c1-37(2)30-15-4-6-17-33(30)41(35-18-7-8-21-38-35)34-24-26(19-20-31(34)37)25-11-9-12-27(23-25)40-32-16-5-3-13-28(32)29-14-10-22-39-36(29)40;/h3-22H,1-2H3;/q-2;+2.
What are the key properties of 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+)?
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+) has a molecular weight of 721.72 g/mol, XLogP of 8.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 167377749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).