CID 135215571

C64H38N2S — CID 135215571

IUPAC—
SMILESc1ccc(-c2cc(-c3cccc4c3-c3ccc5sc6ccccc6c5c3C43c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C64H38N2S/c1-2-18-40(19-3-1)55-38-56(66-62(65-55)42-34-33-39-17-4-5-20-41(39)37-42)45-24-16-31-54-59(45)47-35-36-58-60(46-23-8-15-32-57(46)67-58)61(47)64(54)52-29-13-11-27-50(52)63(51-28-12-14-30-53(51)64)48-25-9-6-21-43(48)44-22-7-10-26-49(44)63/h1-38H
InChIKeyOUXJPRCFGLQBGG-UHFFFAOYSA-N
MW867.09 g/mol
LogP16.04
Rot. Bonds3

About CID 135215571

CID 135215571 (PubChem CID 135215571) has the molecular formula C64H38N2S and a molecular weight of 867.09 g/mol.

Molecular Properties

Compound NameCID 135215571
PubChem CID135215571
Molecular FormulaC64H38N2S
Molecular Weight867.09 g/mol
Exact Mass866.28
IUPAC Name—
SMILESc1ccc(-c2cc(-c3cccc4c3-c3ccc5sc6ccccc6c5c3C43c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C64H38N2S/c1-2-18-40(19-3-1)55-38-56(66-62(65-55)42-34-33-39-17-4-5-20-41(39)37-42)45-24-16-31-54-59(45)47-35-36-58-60(46-23-8-15-32-57(46)67-58)61(47)64(54)52-29-13-11-27-50(52)63(51-28-12-14-30-53(51)64)48-25-9-6-21-43(48)44-22-7-10-26-49(44)63/h1-38H
InChIKeyOUXJPRCFGLQBGG-UHFFFAOYSA-N
XLogP16.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.09
LogP ≤ 516.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 135215571 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 137211940
CID 137211940
4-(4-dibenzothiophen-1-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603974
2,4-dinaphthalen-2-yl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 142356274
CID 129023536
CID 129023536
4-naphthalen-2-yl-6-phenyl-2-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 134529496
4-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-1-yl)pyrimidine
CID 171584688
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 171585547
CID 129023376
CID 129023376
4-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 142356601
4-dibenzothiophen-1-yl-6-(3,5-diphenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 153288145
4-(3-dibenzothiophen-3-yl-5-naphthalen-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171601845
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 171584076

Frequently Asked Questions

What is the IUPAC name of CID 135215571?
The IUPAC name of CID 135215571 (CID 135215571) is not available.
What is the SMILES notation for CID 135215571?
The canonical SMILES for CID 135215571 is c1ccc(-c2cc(-c3cccc4c3-c3ccc5sc6ccccc6c5c3C43c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of CID 135215571?
The InChIKey is OUXJPRCFGLQBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N2S/c1-2-18-40(19-3-1)55-38-56(66-62(65-55)42-34-33-39-17-4-5-20-41(39)37-42)45-24-16-31-54-59(45)47-35-36-58-60(46-23-8-15-32-57(46)67-58)61(47)64(54)52-29-13-11-27-50(52)63(51-28-12-14-30-53(51)64)48-25-9-6-21-43(48)44-22-7-10-26-49(44)63/h1-38H.
What are the key properties of CID 135215571?
CID 135215571 has a molecular weight of 867.09 g/mol, XLogP of 16.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135215571 is sourced from PubChem (CID 135215571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).