CID 155428129

C46H26OS2 — CID 155428129

IUPAC—
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c(c3)oc3ccccc34)sc2C2(c3ccccc3-c3ccccc32)c2ccsc21
InChIInChI=1S/C46H26OS2/c1-6-16-34-28(11-1)29-12-2-7-17-35(29)45(34)38-23-24-48-43(38)46(36-18-8-3-13-30(36)31-14-4-9-19-37(31)46)39-26-42(49-44(39)45)27-21-22-33-32-15-5-10-20-40(32)47-41(33)25-27/h1-26H
InChIKeyVPLNZIKAPICZNI-UHFFFAOYSA-N
MW658.85 g/mol
LogP12.42
Rot. Bonds1

About CID 155428129

CID 155428129 (PubChem CID 155428129) has the molecular formula C46H26OS2 and a molecular weight of 658.85 g/mol.

Molecular Properties

Compound NameCID 155428129
PubChem CID155428129
Molecular FormulaC46H26OS2
Molecular Weight658.85 g/mol
Exact Mass658.14
IUPAC Name—
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c(c3)oc3ccccc34)sc2C2(c3ccccc3-c3ccccc32)c2ccsc21
InChIInChI=1S/C46H26OS2/c1-6-16-34-28(11-1)29-12-2-7-17-35(29)45(34)38-23-24-48-43(38)46(36-18-8-3-13-30(36)31-14-4-9-19-37(31)46)39-26-42(49-44(39)45)27-21-22-33-32-15-5-10-20-40(32)47-41(33)25-27/h1-26H
InChIKeyVPLNZIKAPICZNI-UHFFFAOYSA-N
XLogP12.42
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.85
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
CID 155427883
CID 155427883
CID 158445752
CID 158445752
CID 155428359
CID 155428359
2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine
CID 148861286
2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
3-chloro-2-dibenzofuran-3-yl-9,9-dimethylindeno[1,2-b]pyrazine
CID 151052453
2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146649073
2-dibenzofuran-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821113
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582
4-dibenzofuran-3-yl-6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-2-phenylpyrimidine
CID 146495521
3-(5'-chlorospiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran
CID 155483429

Frequently Asked Questions

What is the IUPAC name of CID 155428129?
The IUPAC name of CID 155428129 (CID 155428129) is not available.
What is the SMILES notation for CID 155428129?
The canonical SMILES for CID 155428129 is c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c(c3)oc3ccccc34)sc2C2(c3ccccc3-c3ccccc32)c2ccsc21.
What is the InChIKey of CID 155428129?
The InChIKey is VPLNZIKAPICZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26OS2/c1-6-16-34-28(11-1)29-12-2-7-17-35(29)45(34)38-23-24-48-43(38)46(36-18-8-3-13-30(36)31-14-4-9-19-37(31)46)39-26-42(49-44(39)45)27-21-22-33-32-15-5-10-20-40(32)47-41(33)25-27/h1-26H.
What are the key properties of CID 155428129?
CID 155428129 has a molecular weight of 658.85 g/mol, XLogP of 12.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155428129 is sourced from PubChem (CID 155428129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).