CID 155616480

C52H37GeN4OPt-3 — CID 155616480

IUPAC—
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)[Ge]4(c6ccccc6-c6ccccc64)c4cccc6c4N5[CH-]N6c4ccccc4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C52H37GeN4O.Pt/c1-52(2,3)34-28-29-54-50(30-34)57-46-22-12-9-18-40(46)41-26-24-36(31-48(41)57)58-37-25-27-44-49(32-37)56-33-55(35-14-5-4-6-15-35)47-23-13-21-45(51(47)56)53(44)42-19-10-7-16-38(42)39-17-8-11-20-43(39)53;/h4-30,33H,1-3H3;/q-3;
InChIKeyMXWUMHMCIMOPNR-UHFFFAOYSA-N
MW1001.58 g/mol
LogP9.95
Rot. Bonds4

About CID 155616480

CID 155616480 (PubChem CID 155616480) has the molecular formula C52H37GeN4OPt-3 and a molecular weight of 1001.58 g/mol.

Molecular Properties

Compound NameCID 155616480
PubChem CID155616480
Molecular FormulaC52H37GeN4OPt-3
Molecular Weight1001.58 g/mol
Exact Mass1002.18
IUPAC Name—
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)[Ge]4(c6ccccc6-c6ccccc64)c4cccc6c4N5[CH-]N6c4ccccc4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C52H37GeN4O.Pt/c1-52(2,3)34-28-29-54-50(30-34)57-46-22-12-9-18-40(46)41-26-24-36(31-48(41)57)58-37-25-27-44-49(32-37)56-33-55(35-14-5-4-6-15-35)47-23-13-21-45(51(47)56)53(44)42-19-10-7-16-38(42)39-17-8-11-20-43(39)53;/h4-30,33H,1-3H3;/q-3;
InChIKeyMXWUMHMCIMOPNR-UHFFFAOYSA-N
XLogP9.95
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.58
LogP ≤ 59.95
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 159650736
CID 159650736
CID 155616539
CID 155616539
2-[3-[3-(3-tert-butylphenyl)-4-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 155652749
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 162447516
9-(4-tert-butyl-2-pyridinyl)-2-[[1-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-1H-carbazol-1-ide;platinum
CID 162445678
9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-dibenzofuran-3-id-2-yl]oxy]-1H-carbazol-1-ide;platinum
CID 162445656
2-[3-[3-(3-tert-butylphenyl)-4-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 162449630
CID 155616633
CID 155616633
1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-9-methyl-3-phenyl-2H-imidazo[4,5-b]carbazol-2-ide;platinum
CID 155794664
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
2-[3-[3-(2-tert-butyl-6-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 153490740
3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-methyl-1-phenyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum
CID 155794721

Frequently Asked Questions

What is the IUPAC name of CID 155616480?
The IUPAC name of CID 155616480 (CID 155616480) is not available.
What is the SMILES notation for CID 155616480?
The canonical SMILES for CID 155616480 is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)[Ge]4(c6ccccc6-c6ccccc64)c4cccc6c4N5[CH-]N6c4ccccc4)ccc3c3ccccc32)c1.[Pt].
What is the InChIKey of CID 155616480?
The InChIKey is MXWUMHMCIMOPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37GeN4O.Pt/c1-52(2,3)34-28-29-54-50(30-34)57-46-22-12-9-18-40(46)41-26-24-36(31-48(41)57)58-37-25-27-44-49(32-37)56-33-55(35-14-5-4-6-15-35)47-23-13-21-45(51(47)56)53(44)42-19-10-7-16-38(42)39-17-8-11-20-43(39)53;/h4-30,33H,1-3H3;/q-3;.
What are the key properties of CID 155616480?
CID 155616480 has a molecular weight of 1001.58 g/mol, XLogP of 9.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155616480 is sourced from PubChem (CID 155616480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).