CID 176845142

C45H33N3OPtSi — CID 176845142

IUPAC—
SMILESC[Si](C)(C)c1cc[c-]c(-c2cccc(Oc3ccc4c5ccccc5n(-c5[c-]cc6c(c5)C5c7ccccc7C6c6ccccc65)c4n3)n2)c1.[Pt+2]
InChIInChI=1S/C45H33N3OSi.Pt/c1-50(2,3)30-13-10-12-28(26-30)39-19-11-21-41(46-39)49-42-25-24-37-31-14-8-9-20-40(31)48(45(37)47-42)29-22-23-36-38(27-29)44-34-17-6-4-15-32(34)43(36)33-16-5-7-18-35(33)44;/h4-11,13-21,23-27,43-44H,1-3H3;/q-2;+2
InChIKeyOAFBMIIPPFUFIJ-UHFFFAOYSA-N
MW854.94 g/mol
LogP10.16
Rot. Bonds5

About CID 176845142

CID 176845142 (PubChem CID 176845142) has the molecular formula C45H33N3OPtSi and a molecular weight of 854.94 g/mol.

Molecular Properties

Compound NameCID 176845142
PubChem CID176845142
Molecular FormulaC45H33N3OPtSi
Molecular Weight854.94 g/mol
Exact Mass854.20
IUPAC Name—
SMILESC[Si](C)(C)c1cc[c-]c(-c2cccc(Oc3ccc4c5ccccc5n(-c5[c-]cc6c(c5)C5c7ccccc7C6c6ccccc65)c4n3)n2)c1.[Pt+2]
InChIInChI=1S/C45H33N3OSi.Pt/c1-50(2,3)30-13-10-12-28(26-30)39-19-11-21-41(46-39)49-42-25-24-37-31-14-8-9-20-40(31)48(45(37)47-42)29-22-23-36-38(27-29)44-34-17-6-4-15-32(34)43(36)33-16-5-7-18-35(33)44;/h4-11,13-21,23-27,43-44H,1-3H3;/q-2;+2
InChIKeyOAFBMIIPPFUFIJ-UHFFFAOYSA-N
XLogP10.16
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.94
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[3-[6-[9-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenyl]silane
CID 176845143
10-phenyl-14-(6-phenyl-2-pyridinyl)-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;platinum(2+)
CID 165164239
2-pyridin-2-yloxy-9-(3-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole
CID 140680894
9-(3,4-dimethylbenzene-6-id-1-yl)-2-[[8-[5,5,7,7-tetramethyl-6-(3,3,5,5-tetramethylcyclohexyl)-6H-cyclopenta[c]pyridin-3-yl]-9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl]oxy]pyrido[2,3-b]indole;platinum(2+)
CID 162503597
2-[4-tert-butyl-6-[9-(3-tert-butylphenyl)pyrido[2,3-b]indol-2-yl]oxy-2-pyridinyl]phenol
CID 164823591
9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+)
CID 171043699
1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+)
CID 168743670
2-[(6-phenyl-2-pyridinyl)oxy]phenanthro[10,9-b]pyridin-12-ol;platinum
CID 166562222
iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole
CID 21042137
9-[4-[2-[11-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165151410
2-[2-[6-(phenoxy)-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol;platinum
CID 154590125
platinum;2-[2-(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrido[2,3-b]indol-9-yl]phenol
CID 154590213

Frequently Asked Questions

What is the IUPAC name of CID 176845142?
The IUPAC name of CID 176845142 (CID 176845142) is not available.
What is the SMILES notation for CID 176845142?
The canonical SMILES for CID 176845142 is C[Si](C)(C)c1cc[c-]c(-c2cccc(Oc3ccc4c5ccccc5n(-c5[c-]cc6c(c5)C5c7ccccc7C6c6ccccc65)c4n3)n2)c1.[Pt+2].
What is the InChIKey of CID 176845142?
The InChIKey is OAFBMIIPPFUFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N3OSi.Pt/c1-50(2,3)30-13-10-12-28(26-30)39-19-11-21-41(46-39)49-42-25-24-37-31-14-8-9-20-40(31)48(45(37)47-42)29-22-23-36-38(27-29)44-34-17-6-4-15-32(34)43(36)33-16-5-7-18-35(33)44;/h4-11,13-21,23-27,43-44H,1-3H3;/q-2;+2.
What are the key properties of CID 176845142?
CID 176845142 has a molecular weight of 854.94 g/mol, XLogP of 10.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176845142 is sourced from PubChem (CID 176845142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).