CID 22917034

C21H17N2O2S- — CID 22917034

IUPAC—
SMILESNS(=O)[O-].c1ccc(-c2cccc(-c3nccc4ccccc34)c2)cc1
InChIInChI=1S/C21H15N.H3NO2S/c1-2-7-16(8-3-1)18-10-6-11-19(15-18)21-20-12-5-4-9-17(20)13-14-22-21;1-4(2)3/h1-15H;1H2,(H,2,3)/p-1
InChIKeySRZJDPISNNCZGH-UHFFFAOYSA-M
MW361.45 g/mol
LogP4.31
Rot. Bonds2

About CID 22917034

CID 22917034 (PubChem CID 22917034) has the molecular formula C21H17N2O2S- and a molecular weight of 361.45 g/mol.

Molecular Properties

Compound NameCID 22917034
PubChem CID22917034
Molecular FormulaC21H17N2O2S-
Molecular Weight361.45 g/mol
Exact Mass361.10
IUPAC Name—
SMILESNS(=O)[O-].c1ccc(-c2cccc(-c3nccc4ccccc34)c2)cc1
InChIInChI=1S/C21H15N.H3NO2S/c1-2-7-16(8-3-1)18-10-6-11-19(15-18)21-20-12-5-4-9-17(20)13-14-22-21;1-4(2)3/h1-15H;1H2,(H,2,3)/p-1
InChIKeySRZJDPISNNCZGH-UHFFFAOYSA-M
XLogP4.31
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1-[3-[4-(3,5-diphenylphenyl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]isoquinoline
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1-[3-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786417
9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole
CID 140587089
1-[3-(4-tert-butylphenyl)phenyl]isoquinoline;carbanide;iridium
CID 166502136
carbanide;iridium;1-phenylisoquinoline
CID 166502152
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582323
1-[4-[3-(4-isoquinolin-1-ylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]isoquinoline
CID 163990353
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]isoquinoline
CID 90401606
1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 122426440
1-[3-(4,6-diphenylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582444
1-[3-[7-(3-isoquinolin-1-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline
CID 58881218
1-[3-[3-[2,6-dimethyl-3,5-bis(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]phenyl]isoquinoline
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Frequently Asked Questions

What is the IUPAC name of CID 22917034?
The IUPAC name of CID 22917034 (CID 22917034) is not available.
What is the SMILES notation for CID 22917034?
The canonical SMILES for CID 22917034 is NS(=O)[O-].c1ccc(-c2cccc(-c3nccc4ccccc34)c2)cc1.
What is the InChIKey of CID 22917034?
The InChIKey is SRZJDPISNNCZGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H15N.H3NO2S/c1-2-7-16(8-3-1)18-10-6-11-19(15-18)21-20-12-5-4-9-17(20)13-14-22-21;1-4(2)3/h1-15H;1H2,(H,2,3)/p-1.
What are the key properties of CID 22917034?
CID 22917034 has a molecular weight of 361.45 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22917034 is sourced from PubChem (CID 22917034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).