CID 176843757

C65H50GeN5OPt-3 — CID 176843757

IUPAC—
SMILES[CH2-]N(c1ccccc1Nc1[c-]c(Oc2[c-]c3c4c(c2)[Ge]2(c5ccccc5N(C)c5ccccc52)c2cccc(c24)n3-c2cc(C(C)(C)C)ccn2)ccc1)c1c(-c2ccccc2)cccc1-c1ccccc1.[Pt]
InChIInChI=1S/C65H50GeN5O.Pt/c1-65(2,3)45-37-38-67-61(39-45)71-59-36-20-31-53-62(59)63-54(66(53)51-29-12-15-33-56(51)69(4)57-34-16-13-30-52(57)66)41-48(42-60(63)71)72-47-26-18-25-46(40-47)68-55-32-14-17-35-58(55)70(5)64-49(43-21-8-6-9-22-43)27-19-28-50(64)44-23-10-7-11-24-44;/h6-39,41,68H,5H2,1-4H3;/q-3;
InChIKeyVHPJLRORMVKHKE-UHFFFAOYSA-N
MW1184.84 g/mol
LogP13.65
Rot. Bonds9

About CID 176843757

CID 176843757 (PubChem CID 176843757) has the molecular formula C65H50GeN5OPt-3 and a molecular weight of 1184.84 g/mol.

Molecular Properties

Compound NameCID 176843757
PubChem CID176843757
Molecular FormulaC65H50GeN5OPt-3
Molecular Weight1184.84 g/mol
Exact Mass1185.29
IUPAC Name—
SMILES[CH2-]N(c1ccccc1Nc1[c-]c(Oc2[c-]c3c4c(c2)[Ge]2(c5ccccc5N(C)c5ccccc52)c2cccc(c24)n3-c2cc(C(C)(C)C)ccn2)ccc1)c1c(-c2ccccc2)cccc1-c1ccccc1.[Pt]
InChIInChI=1S/C65H50GeN5O.Pt/c1-65(2,3)45-37-38-67-61(39-45)71-59-36-20-31-53-62(59)63-54(66(53)51-29-12-15-33-56(51)69(4)57-34-16-13-30-52(57)66)41-48(42-60(63)71)72-47-26-18-25-46(40-47)68-55-32-14-17-35-58(55)70(5)64-49(43-21-8-6-9-22-43)27-19-28-50(64)44-23-10-7-11-24-44;/h6-39,41,68H,5H2,1-4H3;/q-3;
InChIKeyVHPJLRORMVKHKE-UHFFFAOYSA-N
XLogP13.65
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001184.84
LogP ≤ 513.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 176843712
CID 176843712
CID 176843478
CID 176843478
CID 176843749
CID 176843749
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 176843870
CID 176843870
CID 176843545
CID 176843545
CID 176843944
CID 176843944
CID 176843916
CID 176843916
2-[3-[3-[2,6-bis(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 177082962
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5,6-bis(2-methylpropyl)-1H-carbazol-1-ide;platinum
CID 177128678
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 176843757?
The IUPAC name of CID 176843757 (CID 176843757) is not available.
What is the SMILES notation for CID 176843757?
The canonical SMILES for CID 176843757 is [CH2-]N(c1ccccc1Nc1[c-]c(Oc2[c-]c3c4c(c2)[Ge]2(c5ccccc5N(C)c5ccccc52)c2cccc(c24)n3-c2cc(C(C)(C)C)ccn2)ccc1)c1c(-c2ccccc2)cccc1-c1ccccc1.[Pt].
What is the InChIKey of CID 176843757?
The InChIKey is VHPJLRORMVKHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50GeN5O.Pt/c1-65(2,3)45-37-38-67-61(39-45)71-59-36-20-31-53-62(59)63-54(66(53)51-29-12-15-33-56(51)69(4)57-34-16-13-30-52(57)66)41-48(42-60(63)71)72-47-26-18-25-46(40-47)68-55-32-14-17-35-58(55)70(5)64-49(43-21-8-6-9-22-43)27-19-28-50(64)44-23-10-7-11-24-44;/h6-39,41,68H,5H2,1-4H3;/q-3;.
What are the key properties of CID 176843757?
CID 176843757 has a molecular weight of 1184.84 g/mol, XLogP of 13.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176843757 is sourced from PubChem (CID 176843757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).