CID 153495473

C38H26BN7Pt — CID 153495473

IUPAC—
SMILESCN1[CH-]N(c2[c-]c3c(cc2)-c2ccccc2B2c4ccccc4-c4ccc(N5[CH-]N(C)c6nccnc65)[c-]c4N23)c2ccccc21.[Pt+4]
InChIInChI=1S/C38H26BN7.Pt/c1-42-23-44(34-14-8-7-13-33(34)42)25-15-17-29-27-9-3-5-11-31(27)39-32-12-6-4-10-28(32)30-18-16-26(22-36(30)46(39)35(29)21-25)45-24-43(2)37-38(45)41-20-19-40-37;/h3-20,23-24H,1-2H3;/q-4;+4
InChIKeyPFLROMUGVMOQDX-UHFFFAOYSA-N
MW786.57 g/mol
LogP6.39
Rot. Bonds2

About CID 153495473

CID 153495473 (PubChem CID 153495473) has the molecular formula C38H26BN7Pt and a molecular weight of 786.57 g/mol.

Molecular Properties

Compound NameCID 153495473
PubChem CID153495473
Molecular FormulaC38H26BN7Pt
Molecular Weight786.57 g/mol
Exact Mass786.20
IUPAC Name—
SMILESCN1[CH-]N(c2[c-]c3c(cc2)-c2ccccc2B2c4ccccc4-c4ccc(N5[CH-]N(C)c6nccnc65)[c-]c4N23)c2ccccc21.[Pt+4]
InChIInChI=1S/C38H26BN7.Pt/c1-42-23-44(34-14-8-7-13-33(34)42)25-15-17-29-27-9-3-5-11-31(27)39-32-12-6-4-10-28(32)30-18-16-26(22-36(30)46(39)35(29)21-25)45-24-43(2)37-38(45)41-20-19-40-37;/h3-20,23-24H,1-2H3;/q-4;+4
InChIKeyPFLROMUGVMOQDX-UHFFFAOYSA-N
XLogP6.39
TPSA41.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.57
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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CID 153495441
CID 153495441
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CID 162274924
CID 153495280
CID 153495280
CID 153495418
CID 153495418
CID 153495535
CID 153495535
CID 153495573
CID 153495573
CID 153495595
CID 153495595
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide
CID 58556265
CID 153495432
CID 153495432
1-methyl-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;platinum(4+)
CID 164809152
CID 153495304
CID 153495304

Frequently Asked Questions

What is the IUPAC name of CID 153495473?
The IUPAC name of CID 153495473 (CID 153495473) is not available.
What is the SMILES notation for CID 153495473?
The canonical SMILES for CID 153495473 is CN1[CH-]N(c2[c-]c3c(cc2)-c2ccccc2B2c4ccccc4-c4ccc(N5[CH-]N(C)c6nccnc65)[c-]c4N23)c2ccccc21.[Pt+4].
What is the InChIKey of CID 153495473?
The InChIKey is PFLROMUGVMOQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26BN7.Pt/c1-42-23-44(34-14-8-7-13-33(34)42)25-15-17-29-27-9-3-5-11-31(27)39-32-12-6-4-10-28(32)30-18-16-26(22-36(30)46(39)35(29)21-25)45-24-43(2)37-38(45)41-20-19-40-37;/h3-20,23-24H,1-2H3;/q-4;+4.
What are the key properties of CID 153495473?
CID 153495473 has a molecular weight of 786.57 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153495473 is sourced from PubChem (CID 153495473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).