CID 143321579

C26H17B — CID 143321579

IUPAC—
SMILES[B]c1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C26H17B/c27-26-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)26)20-16-14-19(15-17-20)18-8-2-1-3-9-18/h1-17H
InChIKeyKFKKHQTWWUKAST-UHFFFAOYSA-N
MW340.23 g/mol
LogP6.12
Rot. Bonds2

About CID 143321579

CID 143321579 (PubChem CID 143321579) has the molecular formula C26H17B and a molecular weight of 340.23 g/mol.

Molecular Properties

Compound NameCID 143321579
PubChem CID143321579
Molecular FormulaC26H17B
Molecular Weight340.23 g/mol
Exact Mass340.14
IUPAC Name—
SMILES[B]c1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C26H17B/c27-26-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)26)20-16-14-19(15-17-20)18-8-2-1-3-9-18/h1-17H
InChIKeyKFKKHQTWWUKAST-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.23
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

CID 143321545
CID 143321545
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane
CID 157160990
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037

Frequently Asked Questions

What is the IUPAC name of CID 143321579?
The IUPAC name of CID 143321579 (CID 143321579) is not available.
What is the SMILES notation for CID 143321579?
The canonical SMILES for CID 143321579 is [B]c1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.
What is the InChIKey of CID 143321579?
The InChIKey is KFKKHQTWWUKAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17B/c27-26-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)26)20-16-14-19(15-17-20)18-8-2-1-3-9-18/h1-17H.
What are the key properties of CID 143321579?
CID 143321579 has a molecular weight of 340.23 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143321579 is sourced from PubChem (CID 143321579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).