CID 176843688

C76H69N4O2PtSi-3 — CID 176843688

IUPAC—
SMILESCC(C)(C)c1cccc(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c6c(c4)[Si]4(c7ccccc7Oc7ccccc74)c4cccc(c46)n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c1.[Pt]
InChIInChI=1S/C76H69N4O2Si.Pt/c1-73(2,3)50-24-19-23-48(39-50)57-27-21-28-58(49-40-52(75(7,8)9)42-53(41-49)76(10,11)12)72(57)79-47-78(59-29-13-14-30-60(59)79)54-25-20-26-55(44-54)81-56-45-62-71-68(46-56)83(65-34-17-15-32-63(65)82-64-33-16-18-35-66(64)83)67-36-22-31-61(70(67)71)80(62)69-43-51(37-38-77-69)74(4,5)6;/h13-43,46-47H,1-12H3;/q-3;
InChIKeyCGHKLYCMUZKUJE-UHFFFAOYSA-N
MW1293.58 g/mol
LogP17.30
Rot. Bonds7

About CID 176843688

CID 176843688 (PubChem CID 176843688) has the molecular formula C76H69N4O2PtSi-3 and a molecular weight of 1293.58 g/mol.

Molecular Properties

Compound NameCID 176843688
PubChem CID176843688
Molecular FormulaC76H69N4O2PtSi-3
Molecular Weight1293.58 g/mol
Exact Mass1292.49
IUPAC Name—
SMILESCC(C)(C)c1cccc(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c6c(c4)[Si]4(c7ccccc7Oc7ccccc74)c4cccc(c46)n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c1.[Pt]
InChIInChI=1S/C76H69N4O2Si.Pt/c1-73(2,3)50-24-19-23-48(39-50)57-27-21-28-58(49-40-52(75(7,8)9)42-53(41-49)76(10,11)12)72(57)79-47-78(59-29-13-14-30-60(59)79)54-25-20-26-55(44-54)81-56-45-62-71-68(46-56)83(65-34-17-15-32-63(65)82-64-33-16-18-35-66(64)83)67-36-22-31-61(70(67)71)80(62)69-43-51(37-38-77-69)74(4,5)6;/h13-43,46-47H,1-12H3;/q-3;
InChIKeyCGHKLYCMUZKUJE-UHFFFAOYSA-N
XLogP17.30
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001293.58
LogP ≤ 517.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 176843688 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 176843944
CID 176843944
CID 176843916
CID 176843916
CID 176843474
CID 176843474
CID 176843870
CID 176843870
2-[3-[3-[2,6-bis(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 177082962
CID 176843545
CID 176843545
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-dipropyl-1H-carbazol-1-ide;platinum
CID 177128647
CID 176843749
CID 176843749
CID 176843620
CID 176843620
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
CID 170780436
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 177303257
2-[3-[3-(2-tert-butyl-6-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 153490740

Frequently Asked Questions

What is the IUPAC name of CID 176843688?
The IUPAC name of CID 176843688 (CID 176843688) is not available.
What is the SMILES notation for CID 176843688?
The canonical SMILES for CID 176843688 is CC(C)(C)c1cccc(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c6c(c4)[Si]4(c7ccccc7Oc7ccccc74)c4cccc(c46)n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c1.[Pt].
What is the InChIKey of CID 176843688?
The InChIKey is CGHKLYCMUZKUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H69N4O2Si.Pt/c1-73(2,3)50-24-19-23-48(39-50)57-27-21-28-58(49-40-52(75(7,8)9)42-53(41-49)76(10,11)12)72(57)79-47-78(59-29-13-14-30-60(59)79)54-25-20-26-55(44-54)81-56-45-62-71-68(46-56)83(65-34-17-15-32-63(65)82-64-33-16-18-35-66(64)83)67-36-22-31-61(70(67)71)80(62)69-43-51(37-38-77-69)74(4,5)6;/h13-43,46-47H,1-12H3;/q-3;.
What are the key properties of CID 176843688?
CID 176843688 has a molecular weight of 1293.58 g/mol, XLogP of 17.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176843688 is sourced from PubChem (CID 176843688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).