CID 155616633

C47H35N4OPtSi-3 — CID 155616633

IUPAC—
SMILESCN1[CH-]N2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3[Si]3(c4ccccc4-c4ccccc43)c3cccc1c32.[Pt]
InChIInChI=1S/C47H35N4OSi.Pt/c1-47(2,3)30-24-25-48-45(26-30)51-37-15-8-5-12-33(37)34-22-20-31(27-39(34)51)52-32-21-23-43-40(28-32)50-29-49(4)38-16-11-19-44(46(38)50)53(43)41-17-9-6-13-35(41)36-14-7-10-18-42(36)53;/h5-26,29H,1-4H3;/q-3;
InChIKeyPEWSJYVUCAQBKQ-UHFFFAOYSA-N
MW894.99 g/mol
LogP8.24
Rot. Bonds3

About CID 155616633

CID 155616633 (PubChem CID 155616633) has the molecular formula C47H35N4OPtSi-3 and a molecular weight of 894.99 g/mol.

Molecular Properties

Compound NameCID 155616633
PubChem CID155616633
Molecular FormulaC47H35N4OPtSi-3
Molecular Weight894.99 g/mol
Exact Mass894.22
IUPAC Name—
SMILESCN1[CH-]N2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3[Si]3(c4ccccc4-c4ccccc43)c3cccc1c32.[Pt]
InChIInChI=1S/C47H35N4OSi.Pt/c1-47(2,3)30-24-25-48-45(26-30)51-37-15-8-5-12-33(37)34-22-20-31(27-39(34)51)52-32-21-23-43-40(28-32)50-29-49(4)38-16-11-19-44(46(38)50)53(43)41-17-9-6-13-35(41)36-14-7-10-18-42(36)53;/h5-26,29H,1-4H3;/q-3;
InChIKeyPEWSJYVUCAQBKQ-UHFFFAOYSA-N
XLogP8.24
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.99
LogP ≤ 58.24
H-Bond Donors ≤ 50
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 155616480
CID 155616480
1-[3-tert-butyl-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-3-methyl-2H-[1]benzofuro[3,2-e]benzimidazol-2-ide;platinum
CID 155794738
1-[3-tert-butyl-5-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-3,6-dimethyl-2H-imidazo[4,5-c]carbazol-2-ide;platinum
CID 155794670
CID 165375073
CID 165375073
CID 165374956
CID 165374956
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
2-[3-[3-[2,6-bis(3,5-difluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 172530507
2-[3-[3-[2,6-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-tert-butylbenzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 162480724
CID 155794704
CID 155794704
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
2-[3-tert-butyl-5-[3-[2-tert-butyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 172531529

Frequently Asked Questions

What is the IUPAC name of CID 155616633?
The IUPAC name of CID 155616633 (CID 155616633) is not available.
What is the SMILES notation for CID 155616633?
The canonical SMILES for CID 155616633 is CN1[CH-]N2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3[Si]3(c4ccccc4-c4ccccc43)c3cccc1c32.[Pt].
What is the InChIKey of CID 155616633?
The InChIKey is PEWSJYVUCAQBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N4OSi.Pt/c1-47(2,3)30-24-25-48-45(26-30)51-37-15-8-5-12-33(37)34-22-20-31(27-39(34)51)52-32-21-23-43-40(28-32)50-29-49(4)38-16-11-19-44(46(38)50)53(43)41-17-9-6-13-35(41)36-14-7-10-18-42(36)53;/h5-26,29H,1-4H3;/q-3;.
What are the key properties of CID 155616633?
CID 155616633 has a molecular weight of 894.99 g/mol, XLogP of 8.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155616633 is sourced from PubChem (CID 155616633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).