CID 169292635

C44H26B2N10Pt2S4 — CID 169292635

IUPAC—
SMILESCn1ccnc1-c1[c-]c2c(cc1)Sc1c3c4c(c5c1B2c1[c-]c(-c2nccn2C)cnc1S5)Sc1ncc(-c2nccn2C)[c-]c1B4c1[c-]c(-c2nccn2C)ccc1S3.[Pt+2].[Pt+2]
InChIInChI=1S/C44H26B2N10S4.2Pt/c1-53-13-9-47-39(53)23-5-7-31-27(17-23)45-29-19-25(41-49-11-15-55(41)3)21-51-43(29)59-37-33(45)35(57-31)36-34-38(37)60-44-30(20-26(22-52-44)42-50-12-16-56(42)4)46(34)28-18-24(6-8-32(28)58-36)40-48-10-14-54(40)2;;/h5-16,21-22H,1-4H3;;/q-4;2*+2
InChIKeyNZHRIKUQYJTRHL-UHFFFAOYSA-N
MW1234.81 g/mol
LogP4.17
Rot. Bonds4

About CID 169292635

CID 169292635 (PubChem CID 169292635) has the molecular formula C44H26B2N10Pt2S4 and a molecular weight of 1234.81 g/mol.

Molecular Properties

Compound NameCID 169292635
PubChem CID169292635
Molecular FormulaC44H26B2N10Pt2S4
Molecular Weight1234.81 g/mol
Exact Mass1234.07
IUPAC Name—
SMILESCn1ccnc1-c1[c-]c2c(cc1)Sc1c3c4c(c5c1B2c1[c-]c(-c2nccn2C)cnc1S5)Sc1ncc(-c2nccn2C)[c-]c1B4c1[c-]c(-c2nccn2C)ccc1S3.[Pt+2].[Pt+2]
InChIInChI=1S/C44H26B2N10S4.2Pt/c1-53-13-9-47-39(53)23-5-7-31-27(17-23)45-29-19-25(41-49-11-15-55(41)3)21-51-43(29)59-37-33(45)35(57-31)36-34-38(37)60-44-30(20-26(22-52-44)42-50-12-16-56(42)4)46(34)28-18-24(6-8-32(28)58-36)40-48-10-14-54(40)2;;/h5-16,21-22H,1-4H3;;/q-4;2*+2
InChIKeyNZHRIKUQYJTRHL-UHFFFAOYSA-N
XLogP4.17
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001234.81
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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 169292617
CID 169292617
CID 169292634
CID 169292634
1-methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+)
CID 162451604
7,30-bis(1-methylimidazol-2-yl)-13,24-bis(3-methyl-2H-imidazol-1-yl)-3,17,20,34-tetrathia-5,15,22,32-tetraza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1(35),2(36),4,6,8,11,13,15,18,21,23,25,28,30,32-pentadecaene
CID 159324969
CID 153495560
CID 153495560
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;platinum(2+)
CID 164702677
13,24-bis(3-methyl-2H-imidazol-1-yl)-7,30-di(pyrazol-1-yl)-3,17,20,34-tetrathia-5,32-diaza-10,27-diboranonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4,6,8,11(16),12,14,18(36),19(35),21(26),22,24,28,30,32-pentadecaene
CID 158928011
CID 153495443
CID 153495443
2-(5-ethylthiophen-2-yl)-1-methylimidazole
CID 145483602
2-(5-bromothiophen-2-yl)-1-methylimidazole
CID 129415994

Frequently Asked Questions

What is the IUPAC name of CID 169292635?
The IUPAC name of CID 169292635 (CID 169292635) is not available.
What is the SMILES notation for CID 169292635?
The canonical SMILES for CID 169292635 is Cn1ccnc1-c1[c-]c2c(cc1)Sc1c3c4c(c5c1B2c1[c-]c(-c2nccn2C)cnc1S5)Sc1ncc(-c2nccn2C)[c-]c1B4c1[c-]c(-c2nccn2C)ccc1S3.[Pt+2].[Pt+2].
What is the InChIKey of CID 169292635?
The InChIKey is NZHRIKUQYJTRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26B2N10S4.2Pt/c1-53-13-9-47-39(53)23-5-7-31-27(17-23)45-29-19-25(41-49-11-15-55(41)3)21-51-43(29)59-37-33(45)35(57-31)36-34-38(37)60-44-30(20-26(22-52-44)42-50-12-16-56(42)4)46(34)28-18-24(6-8-32(28)58-36)40-48-10-14-54(40)2;;/h5-16,21-22H,1-4H3;;/q-4;2*+2.
What are the key properties of CID 169292635?
CID 169292635 has a molecular weight of 1234.81 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169292635 is sourced from PubChem (CID 169292635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).