CID 170668675

C72H64N5Pt-3 — CID 170668675

IUPAC—
SMILESCC(C)(C)c1ccc(-c2ccnc(N3c4[c-]c(N(c5[c-]c(N6[CH-]N(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccccc76)cc(-c6ccccc6)c5)c5ccccc5)ccc4-c4ccccc4-c4ccccc43)c2)cc1.[Pt]
InChIInChI=1S/C72H64N5.Pt/c1-70(2,3)53-34-32-50(33-35-53)51-38-39-73-69(42-51)77-65-29-19-18-28-63(65)61-26-16-17-27-62(61)64-37-36-57(47-68(64)77)76(56-24-14-11-15-25-56)60-41-52(49-22-12-10-13-23-49)40-58(46-60)74-48-75(67-31-21-20-30-66(67)74)59-44-54(71(4,5)6)43-55(45-59)72(7,8)9;/h10-45,48H,1-9H3;/q-3;
InChIKeyFNLJUDQWJUTUST-UHFFFAOYSA-N
MW1194.42 g/mol
LogP19.90
Rot. Bonds8

About CID 170668675

CID 170668675 (PubChem CID 170668675) has the molecular formula C72H64N5Pt-3 and a molecular weight of 1194.42 g/mol.

Molecular Properties

Compound NameCID 170668675
PubChem CID170668675
Molecular FormulaC72H64N5Pt-3
Molecular Weight1194.42 g/mol
Exact Mass1193.48
IUPAC Name—
SMILESCC(C)(C)c1ccc(-c2ccnc(N3c4[c-]c(N(c5[c-]c(N6[CH-]N(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccccc76)cc(-c6ccccc6)c5)c5ccccc5)ccc4-c4ccccc4-c4ccccc43)c2)cc1.[Pt]
InChIInChI=1S/C72H64N5.Pt/c1-70(2,3)53-34-32-50(33-35-53)51-38-39-73-69(42-51)77-65-29-19-18-28-63(65)61-26-16-17-27-62(61)64-37-36-57(47-68(64)77)76(56-24-14-11-15-25-56)60-41-52(49-22-12-10-13-23-49)40-58(46-60)74-48-75(67-31-21-20-30-66(67)74)59-44-54(71(4,5)6)43-55(45-59)72(7,8)9;/h10-45,48H,1-9H3;/q-3;
InChIKeyFNLJUDQWJUTUST-UHFFFAOYSA-N
XLogP19.90
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001194.42
LogP ≤ 519.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 170668843
CID 170668843
CID 170668738
CID 170668738
CID 170668573
CID 170668573
CID 170668665
CID 170668665
CID 170668620
CID 170668620
N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-N,6-diphenyl-1H-carbazol-1-id-2-amine;platinum
CID 162448816
CID 176782986
CID 176782986
N-[3-[3-(3,5-ditert-butylphenyl)-5-phenylbenzimidazol-3-ium-1-yl]-5-phenylphenyl]-N-phenyl-14-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine
CID 170668723
CID 176783451
CID 176783451
CID 176783514
CID 176783514
N-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum
CID 155651161
2-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum
CID 155652685

Frequently Asked Questions

What is the IUPAC name of CID 170668675?
The IUPAC name of CID 170668675 (CID 170668675) is not available.
What is the SMILES notation for CID 170668675?
The canonical SMILES for CID 170668675 is CC(C)(C)c1ccc(-c2ccnc(N3c4[c-]c(N(c5[c-]c(N6[CH-]N(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccccc76)cc(-c6ccccc6)c5)c5ccccc5)ccc4-c4ccccc4-c4ccccc43)c2)cc1.[Pt].
What is the InChIKey of CID 170668675?
The InChIKey is FNLJUDQWJUTUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H64N5.Pt/c1-70(2,3)53-34-32-50(33-35-53)51-38-39-73-69(42-51)77-65-29-19-18-28-63(65)61-26-16-17-27-62(61)64-37-36-57(47-68(64)77)76(56-24-14-11-15-25-56)60-41-52(49-22-12-10-13-23-49)40-58(46-60)74-48-75(67-31-21-20-30-66(67)74)59-44-54(71(4,5)6)43-55(45-59)72(7,8)9;/h10-45,48H,1-9H3;/q-3;.
What are the key properties of CID 170668675?
CID 170668675 has a molecular weight of 1194.42 g/mol, XLogP of 19.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170668675 is sourced from PubChem (CID 170668675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).