CID 58568669

C56H34N4Pt — CID 58568669

IUPAC—
SMILES[Pt+2].c1cc2nc(c1)C1([N-]c3ccc4ccccc4c3-c3cccc(n3)C3([N-]c4ccc5ccccc5c4-2)c2ccccc2-c2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C56H34N4.Pt/c1-3-17-37-35(15-1)31-33-49-53(37)47-27-13-29-51(57-47)56(45-25-11-7-21-41(45)42-22-8-12-26-46(42)56)60-50-34-32-36-16-2-4-18-38(36)54(50)48-28-14-30-52(58-48)55(59-49)43-23-9-5-19-39(43)40-20-6-10-24-44(40)55;/h1-34H;/q-2;+2
InChIKeyPHACPOGLZNYWFP-UHFFFAOYSA-N
MW957.99 g/mol
LogP14.38
Rot. Bonds

About CID 58568669

CID 58568669 (PubChem CID 58568669) has the molecular formula C56H34N4Pt and a molecular weight of 957.99 g/mol.

Molecular Properties

Compound NameCID 58568669
PubChem CID58568669
Molecular FormulaC56H34N4Pt
Molecular Weight957.99 g/mol
Exact Mass957.24
IUPAC Name—
SMILES[Pt+2].c1cc2nc(c1)C1([N-]c3ccc4ccccc4c3-c3cccc(n3)C3([N-]c4ccc5ccccc5c4-2)c2ccccc2-c2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C56H34N4.Pt/c1-3-17-37-35(15-1)31-33-49-53(37)47-27-13-29-51(57-47)56(45-25-11-7-21-41(45)42-22-8-12-26-46(42)56)60-50-34-32-36-16-2-4-18-38(36)54(50)48-28-14-30-52(58-48)55(59-49)43-23-9-5-19-39(43)40-20-6-10-24-44(40)55;/h1-34H;/q-2;+2
InChIKeyPHACPOGLZNYWFP-UHFFFAOYSA-N
XLogP14.38
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.99
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dinaphthalen-1-ylfluorene
CID 140680296
spiro[12-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene-13,9'-fluorene]
CID 16719393
2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 118427296
8-chlorospiro[benzo[c]fluorene-7,9'-fluorene]
CID 165158278
12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethene
CID 91481070
spiro[benzo[c]fluorene-7,1'-cyclopentane]
CID 59806731
ethane;4'-[1-(4-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
CID 142592875
1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 153412677
2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine
CID 134194075
spiro[benzo[a]fluorene-11,1'-cyclononane]
CID 143254805
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
7,7-dimethylbenzo[c]fluorene;hydroiodide
CID 144938625

Frequently Asked Questions

What is the IUPAC name of CID 58568669?
The IUPAC name of CID 58568669 (CID 58568669) is not available.
What is the SMILES notation for CID 58568669?
The canonical SMILES for CID 58568669 is [Pt+2].c1cc2nc(c1)C1([N-]c3ccc4ccccc4c3-c3cccc(n3)C3([N-]c4ccc5ccccc5c4-2)c2ccccc2-c2ccccc23)c2ccccc2-c2ccccc21.
What is the InChIKey of CID 58568669?
The InChIKey is PHACPOGLZNYWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4.Pt/c1-3-17-37-35(15-1)31-33-49-53(37)47-27-13-29-51(57-47)56(45-25-11-7-21-41(45)42-22-8-12-26-46(42)56)60-50-34-32-36-16-2-4-18-38(36)54(50)48-28-14-30-52(58-48)55(59-49)43-23-9-5-19-39(43)40-20-6-10-24-44(40)55;/h1-34H;/q-2;+2.
What are the key properties of CID 58568669?
CID 58568669 has a molecular weight of 957.99 g/mol, XLogP of 14.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58568669 is sourced from PubChem (CID 58568669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).