CID 147342280

C21H15BO — CID 147342280

IUPAC—
SMILES[B]c1cccc2c1oc1c3c(ccc12)C(C)(C)c1ccccc1-3
InChIInChI=1S/C21H15BO/c1-21(2)15-8-4-3-6-14(15)18-16(21)11-10-13-12-7-5-9-17(22)19(12)23-20(13)18/h3-11H,1-2H3
InChIKeyNKCGCTPYZILUCM-UHFFFAOYSA-N
MW294.16 g/mol
LogP4.69
Rot. Bonds

About CID 147342280

CID 147342280 (PubChem CID 147342280) has the molecular formula C21H15BO and a molecular weight of 294.16 g/mol.

Molecular Properties

Compound NameCID 147342280
PubChem CID147342280
Molecular FormulaC21H15BO
Molecular Weight294.16 g/mol
Exact Mass294.12
IUPAC Name—
SMILES[B]c1cccc2c1oc1c3c(ccc12)C(C)(C)c1ccccc1-3
InChIInChI=1S/C21H15BO/c1-21(2)15-8-4-3-6-14(15)18-16(21)11-10-13-12-7-5-9-17(22)19(12)23-20(13)18/h3-11H,1-2H3
InChIKeyNKCGCTPYZILUCM-UHFFFAOYSA-N
XLogP4.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid
CID 123442682
9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099209
7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine
CID 118405099
9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130186143
15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155005086
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine
CID 142515804
4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 169035230
3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole
CID 118099217
3-carbazol-9-yl-2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)benzonitrile
CID 126582543
5-bromo-7,7-dimethylfluoreno[4,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 157381043
17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 58261464
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569

Frequently Asked Questions

What is the IUPAC name of CID 147342280?
The IUPAC name of CID 147342280 (CID 147342280) is not available.
What is the SMILES notation for CID 147342280?
The canonical SMILES for CID 147342280 is [B]c1cccc2c1oc1c3c(ccc12)C(C)(C)c1ccccc1-3.
What is the InChIKey of CID 147342280?
The InChIKey is NKCGCTPYZILUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BO/c1-21(2)15-8-4-3-6-14(15)18-16(21)11-10-13-12-7-5-9-17(22)19(12)23-20(13)18/h3-11H,1-2H3.
What are the key properties of CID 147342280?
CID 147342280 has a molecular weight of 294.16 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147342280 is sourced from PubChem (CID 147342280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).