CID 176843712

C65H50BGeN4OPt-3 — CID 176843712

IUPAC—
SMILES[CH2-]N(c1ccccc1Nc1[c-]c(Oc2[c-]c3c4c(c2)[Ge]2(c5ccccc5B(C)c5ccccc52)c2cccc(c24)n3-c2cc(C(C)(C)C)ccn2)ccc1)c1c(-c2ccccc2)cccc1-c1ccccc1.[Pt]
InChIInChI=1S/C65H50BGeN4O.Pt/c1-65(2,3)45-37-38-68-61(39-45)71-59-36-20-33-55-62(59)63-56(67(55)53-31-14-12-29-51(53)66(4)52-30-13-15-32-54(52)67)41-48(42-60(63)71)72-47-26-18-25-46(40-47)69-57-34-16-17-35-58(57)70(5)64-49(43-21-8-6-9-22-43)27-19-28-50(64)44-23-10-7-11-24-44;/h6-39,41,69H,5H2,1-4H3;/q-3;
InChIKeyUYOPUEXYSDSCBD-UHFFFAOYSA-N
MW1181.64 g/mol
LogP12.12
Rot. Bonds9

About CID 176843712

CID 176843712 (PubChem CID 176843712) has the molecular formula C65H50BGeN4OPt-3 and a molecular weight of 1181.64 g/mol.

Molecular Properties

Compound NameCID 176843712
PubChem CID176843712
Molecular FormulaC65H50BGeN4OPt-3
Molecular Weight1181.64 g/mol
Exact Mass1182.30
IUPAC Name—
SMILES[CH2-]N(c1ccccc1Nc1[c-]c(Oc2[c-]c3c4c(c2)[Ge]2(c5ccccc5B(C)c5ccccc52)c2cccc(c24)n3-c2cc(C(C)(C)C)ccn2)ccc1)c1c(-c2ccccc2)cccc1-c1ccccc1.[Pt]
InChIInChI=1S/C65H50BGeN4O.Pt/c1-65(2,3)45-37-38-68-61(39-45)71-59-36-20-33-55-62(59)63-56(67(55)53-31-14-12-29-51(53)66(4)52-30-13-15-32-54(52)67)41-48(42-60(63)71)72-47-26-18-25-46(40-47)69-57-34-16-17-35-58(57)70(5)64-49(43-21-8-6-9-22-43)27-19-28-50(64)44-23-10-7-11-24-44;/h6-39,41,69H,5H2,1-4H3;/q-3;
InChIKeyUYOPUEXYSDSCBD-UHFFFAOYSA-N
XLogP12.12
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001181.64
LogP ≤ 512.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 176843757
CID 176843757
CID 176843749
CID 176843749
CID 176843478
CID 176843478
CID 176843824
CID 176843824
1-N-[3-[6-(4-tert-butyl-2-pyridinyl)spiro[6-aza-14-germatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene-14,10'-benzo[b][1,4]benzothiagermine]-3-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine
CID 176843534
CID 176843916
CID 176843916
CID 176843870
CID 176843870
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
4-tert-butyl-2-N-[3-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-(2-tert-butylphenyl)benzene-2-id-1-yl]-1-N-(3-tert-butylphenyl)-2-N-methanidylbenzene-1,2-diamine;platinum
CID 169057312
4-tert-butyl-2-N-[3-tert-butyl-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-1-N-(3,5-ditert-butylphenyl)-2-N-methanidylbenzene-1,2-diamine;platinum
CID 169056487
CID 176843545
CID 176843545
1-N-[3-[[6-(4-tert-butyl-2-pyridinyl)-14,14-diphenyl-6-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-3-yl]oxy]phenyl]-2-N-(2,6-diphenylphenyl)-2-N-methylbenzene-1,2-diamine
CID 176843949

Frequently Asked Questions

What is the IUPAC name of CID 176843712?
The IUPAC name of CID 176843712 (CID 176843712) is not available.
What is the SMILES notation for CID 176843712?
The canonical SMILES for CID 176843712 is [CH2-]N(c1ccccc1Nc1[c-]c(Oc2[c-]c3c4c(c2)[Ge]2(c5ccccc5B(C)c5ccccc52)c2cccc(c24)n3-c2cc(C(C)(C)C)ccn2)ccc1)c1c(-c2ccccc2)cccc1-c1ccccc1.[Pt].
What is the InChIKey of CID 176843712?
The InChIKey is UYOPUEXYSDSCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50BGeN4O.Pt/c1-65(2,3)45-37-38-68-61(39-45)71-59-36-20-33-55-62(59)63-56(67(55)53-31-14-12-29-51(53)66(4)52-30-13-15-32-54(52)67)41-48(42-60(63)71)72-47-26-18-25-46(40-47)69-57-34-16-17-35-58(57)70(5)64-49(43-21-8-6-9-22-43)27-19-28-50(64)44-23-10-7-11-24-44;/h6-39,41,69H,5H2,1-4H3;/q-3;.
What are the key properties of CID 176843712?
CID 176843712 has a molecular weight of 1181.64 g/mol, XLogP of 12.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176843712 is sourced from PubChem (CID 176843712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).