CID 165375274

C73H68N5OPt-3 — CID 165375274

IUPAC—
SMILESCc1cc(-n2c3[c-]c(Oc4[c-]c5c(cc4)C4(c6cccc7c6N5[CH-]N7C)c5c(cc(C(C)(C)C)cc5C(C)(C)C)-c5cc(C(C)(C)C)cc(C(C)(C)C)c54)ccc3c3ccccc32)ncc1-n1c2ccccc2c2ccccc21.[Pt]
InChIInChI=1S/C73H68N5O.Pt/c1-43-34-65(74-41-64(43)77-58-26-18-15-22-48(58)49-23-16-19-27-59(49)77)78-60-28-20-17-24-50(60)51-32-30-46(39-62(51)78)79-47-31-33-54-63(40-47)76-42-75(14)61-29-21-25-55(68(61)76)73(54)66-52(35-44(69(2,3)4)37-56(66)71(8,9)10)53-36-45(70(5,6)7)38-57(67(53)73)72(11,12)13;/h15-38,41-42H,1-14H3;/q-3;
InChIKeyFOXWGSIUBSBNFN-UHFFFAOYSA-N
MW1226.46 g/mol
LogP18.55
Rot. Bonds4

About CID 165375274

CID 165375274 (PubChem CID 165375274) has the molecular formula C73H68N5OPt-3 and a molecular weight of 1226.46 g/mol.

Molecular Properties

Compound NameCID 165375274
PubChem CID165375274
Molecular FormulaC73H68N5OPt-3
Molecular Weight1226.46 g/mol
Exact Mass1225.51
IUPAC Name—
SMILESCc1cc(-n2c3[c-]c(Oc4[c-]c5c(cc4)C4(c6cccc7c6N5[CH-]N7C)c5c(cc(C(C)(C)C)cc5C(C)(C)C)-c5cc(C(C)(C)C)cc(C(C)(C)C)c54)ccc3c3ccccc32)ncc1-n1c2ccccc2c2ccccc21.[Pt]
InChIInChI=1S/C73H68N5O.Pt/c1-43-34-65(74-41-64(43)77-58-26-18-15-22-48(58)49-23-16-19-27-59(49)77)78-60-28-20-17-24-50(60)51-32-30-46(39-62(51)78)79-47-31-33-54-63(40-47)76-42-75(14)61-29-21-25-55(68(61)76)73(54)66-52(35-44(69(2,3)4)37-56(66)71(8,9)10)53-36-45(70(5,6)7)38-57(67(53)73)72(11,12)13;/h15-38,41-42H,1-14H3;/q-3;
InChIKeyFOXWGSIUBSBNFN-UHFFFAOYSA-N
XLogP18.55
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001226.46
LogP ≤ 518.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 165374942
CID 165374942
CID 165375073
CID 165375073
CID 165375144
CID 165375144
CID 165374774
CID 165374774
CID 165375161
CID 165375161
CID 165374956
CID 165374956
CID 165374747
CID 165374747
CID 165374844
CID 165374844
8-tert-butyl-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 169289084
6-(4-tert-butylphenyl)-9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 169289059
CID 165374860
CID 165374860
CID 155616633
CID 155616633

Frequently Asked Questions

What is the IUPAC name of CID 165375274?
The IUPAC name of CID 165375274 (CID 165375274) is not available.
What is the SMILES notation for CID 165375274?
The canonical SMILES for CID 165375274 is Cc1cc(-n2c3[c-]c(Oc4[c-]c5c(cc4)C4(c6cccc7c6N5[CH-]N7C)c5c(cc(C(C)(C)C)cc5C(C)(C)C)-c5cc(C(C)(C)C)cc(C(C)(C)C)c54)ccc3c3ccccc32)ncc1-n1c2ccccc2c2ccccc21.[Pt].
What is the InChIKey of CID 165375274?
The InChIKey is FOXWGSIUBSBNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H68N5O.Pt/c1-43-34-65(74-41-64(43)77-58-26-18-15-22-48(58)49-23-16-19-27-59(49)77)78-60-28-20-17-24-50(60)51-32-30-46(39-62(51)78)79-47-31-33-54-63(40-47)76-42-75(14)61-29-21-25-55(68(61)76)73(54)66-52(35-44(69(2,3)4)37-56(66)71(8,9)10)53-36-45(70(5,6)7)38-57(67(53)73)72(11,12)13;/h15-38,41-42H,1-14H3;/q-3;.
What are the key properties of CID 165375274?
CID 165375274 has a molecular weight of 1226.46 g/mol, XLogP of 18.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165375274 is sourced from PubChem (CID 165375274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).