CID 169301900

C64H42N6OPt — CID 169301900

IUPAC—
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(-n4c5[c-]c(-c6nc7ccccc7n6-c6ccccc6)c6oc7cc(-n8c9ccccc9c9ccccc98)ccc7c6c5c5ccccc54)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C64H42N6O.Pt/c1-64(2,3)39-33-34-65-59(35-39)70-53-26-14-9-21-45(53)46-31-29-41(36-56(46)70)68-54-27-15-10-22-47(54)60-57(68)38-49(63-66-50-23-11-16-28-55(50)69(63)40-17-5-4-6-18-40)62-61(60)48-32-30-42(37-58(48)71-62)67-51-24-12-7-19-43(51)44-20-8-13-25-52(44)67;/h4-35,37H,1-3H3;/q-2;+2
InChIKeyRNIAEFJCPYSYOK-UHFFFAOYSA-N
MW1106.16 g/mol
LogP16.17
Rot. Bonds5

About CID 169301900

CID 169301900 (PubChem CID 169301900) has the molecular formula C64H42N6OPt and a molecular weight of 1106.16 g/mol.

Molecular Properties

Compound NameCID 169301900
PubChem CID169301900
Molecular FormulaC64H42N6OPt
Molecular Weight1106.16 g/mol
Exact Mass1105.31
IUPAC Name—
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(-n4c5[c-]c(-c6nc7ccccc7n6-c6ccccc6)c6oc7cc(-n8c9ccccc9c9ccccc98)ccc7c6c5c5ccccc54)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C64H42N6O.Pt/c1-64(2,3)39-33-34-65-59(35-39)70-53-26-14-9-21-45(53)46-31-29-41(36-56(46)70)68-54-27-15-10-22-47(54)60-57(68)38-49(63-66-50-23-11-16-28-55(50)69(63)40-17-5-4-6-18-40)62-61(60)48-32-30-42(37-58(48)71-62)67-51-24-12-7-19-43(51)44-20-8-13-25-52(44)67;/h4-35,37H,1-3H3;/q-2;+2
InChIKeyRNIAEFJCPYSYOK-UHFFFAOYSA-N
XLogP16.17
TPSA58.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001106.16
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-3-yl)-1H-carbazol-1-ide;platinum(2+)
CID 162446598
9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+)
CID 86342842
CID 164701917
CID 164701917
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide;platinum(2+)
CID 162446625
9-(4-tert-butyl-2-pyridinyl)-2-[[2-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum(2+)
CID 162445687
5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)
CID 169289231
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-phenyl-7-(2-phenylpropan-2-yl)benzimidazol-2-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 162449103
9-(4-tert-butyl-2-pyridinyl)-2-[[4-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7-[2-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum(2+)
CID 169301761
8-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;platinum(2+)
CID 169289161
bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+)
CID 162446559
6-phenyl-8-(1-phenylbenzimidazol-2-yl)-10-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9H-[1]benzofuro[2,3-c]quinolin-9-ide;platinum(2+)
CID 176645914
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222

Frequently Asked Questions

What is the IUPAC name of CID 169301900?
The IUPAC name of CID 169301900 (CID 169301900) is not available.
What is the SMILES notation for CID 169301900?
The canonical SMILES for CID 169301900 is CC(C)(C)c1ccnc(-n2c3[c-]c(-n4c5[c-]c(-c6nc7ccccc7n6-c6ccccc6)c6oc7cc(-n8c9ccccc9c9ccccc98)ccc7c6c5c5ccccc54)ccc3c3ccccc32)c1.[Pt+2].
What is the InChIKey of CID 169301900?
The InChIKey is RNIAEFJCPYSYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N6O.Pt/c1-64(2,3)39-33-34-65-59(35-39)70-53-26-14-9-21-45(53)46-31-29-41(36-56(46)70)68-54-27-15-10-22-47(54)60-57(68)38-49(63-66-50-23-11-16-28-55(50)69(63)40-17-5-4-6-18-40)62-61(60)48-32-30-42(37-58(48)71-62)67-51-24-12-7-19-43(51)44-20-8-13-25-52(44)67;/h4-35,37H,1-3H3;/q-2;+2.
What are the key properties of CID 169301900?
CID 169301900 has a molecular weight of 1106.16 g/mol, XLogP of 16.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169301900 is sourced from PubChem (CID 169301900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).