CID 177303716

C64H45N4O2Pt-3 — CID 177303716

IUPAC—
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2ccc4[c-]c2n3-c2cc(C(C)(C)C)c(cn2)-c2cccc(c2)Oc2ccc(cc2)-c2cccc(-c3ccccc3)c2N2[CH-]N(c3[c-]c(ccc3)O4)c3ccccc32)c([2H])c1[2H].[Pt]
InChIInChI=1S/C64H45N4O2.Pt/c1-64(2,3)57-39-62-65-40-56(57)46-19-12-21-49(35-46)69-48-30-27-44(28-31-48)53-24-14-23-52(43-17-8-5-9-18-43)63(53)67-41-66(59-25-10-11-26-60(59)67)47-20-13-22-50(37-47)70-51-32-33-54-55-36-45(42-15-6-4-7-16-42)29-34-58(55)68(62)61(54)38-51;/h4-36,39-41H,1-3H3;/q-3;/i4D,6D,7D,15D,16D,29D,34D,36D;
InChIKeyHDPYMSMQPSUOSK-CWCSKTGESA-N
MW1105.22 g/mol
LogP17.05
Rot. Bonds2

About CID 177303716

CID 177303716 (PubChem CID 177303716) has the molecular formula C64H45N4O2Pt-3 and a molecular weight of 1105.22 g/mol.

Molecular Properties

Compound NameCID 177303716
PubChem CID177303716
Molecular FormulaC64H45N4O2Pt-3
Molecular Weight1105.22 g/mol
Exact Mass1104.37
IUPAC Name—
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2ccc4[c-]c2n3-c2cc(C(C)(C)C)c(cn2)-c2cccc(c2)Oc2ccc(cc2)-c2cccc(-c3ccccc3)c2N2[CH-]N(c3[c-]c(ccc3)O4)c3ccccc32)c([2H])c1[2H].[Pt]
InChIInChI=1S/C64H45N4O2.Pt/c1-64(2,3)57-39-62-65-40-56(57)46-19-12-21-49(35-46)69-48-30-27-44(28-31-48)53-24-14-23-52(43-17-8-5-9-18-43)63(53)67-41-66(59-25-10-11-26-60(59)67)47-20-13-22-50(37-47)70-51-32-33-54-55-36-45(42-15-6-4-7-16-42)29-34-58(55)68(62)61(54)38-51;/h4-36,39-41H,1-3H3;/q-3;/i4D,6D,7D,15D,16D,29D,34D,36D;
InChIKeyHDPYMSMQPSUOSK-CWCSKTGESA-N
XLogP17.05
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.22
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 177303716 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 177303821
CID 177303821
CID 177303570
CID 177303570
9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 168780235
9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 176756887
9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
CID 168780186
9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6-(2,4,6-trideuterio-3,5-diphenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum
CID 177276235
9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 168780750
2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 168780428
2-[3-[3-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-6-[6,6,7,7-tetradeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum
CID 177276460
9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)-5-phenylphenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum
CID 177276290
6-tert-butyl-2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 168780521
2-[3-[3-[4-tert-butyl-2-(3-tert-butyl-2,4,5,6-tetradeuteriophenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5,6,7,8-tetradeuterio-1H-carbazol-1-ide;platinum
CID 177276461

Frequently Asked Questions

What is the IUPAC name of CID 177303716?
The IUPAC name of CID 177303716 (CID 177303716) is not available.
What is the SMILES notation for CID 177303716?
The canonical SMILES for CID 177303716 is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2ccc4[c-]c2n3-c2cc(C(C)(C)C)c(cn2)-c2cccc(c2)Oc2ccc(cc2)-c2cccc(-c3ccccc3)c2N2[CH-]N(c3[c-]c(ccc3)O4)c3ccccc32)c([2H])c1[2H].[Pt].
What is the InChIKey of CID 177303716?
The InChIKey is HDPYMSMQPSUOSK-CWCSKTGESA-N. The full InChI is InChI=1S/C64H45N4O2.Pt/c1-64(2,3)57-39-62-65-40-56(57)46-19-12-21-49(35-46)69-48-30-27-44(28-31-48)53-24-14-23-52(43-17-8-5-9-18-43)63(53)67-41-66(59-25-10-11-26-60(59)67)47-20-13-22-50(37-47)70-51-32-33-54-55-36-45(42-15-6-4-7-16-42)29-34-58(55)68(62)61(54)38-51;/h4-36,39-41H,1-3H3;/q-3;/i4D,6D,7D,15D,16D,29D,34D,36D;.
What are the key properties of CID 177303716?
CID 177303716 has a molecular weight of 1105.22 g/mol, XLogP of 17.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177303716 is sourced from PubChem (CID 177303716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).