CID 170927124

C12H7BO — CID 170927124

IUPAC—
SMILES[2H]c1cc2c(oc3c([2H])c([2H])c([2H])c([B])c32)c([2H])c1[2H]
InChIInChI=1S/C12H7BO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H/i1D,2D,3D,5D,6D,7D
InChIKeyHGVQVSHFWYKOCV-TXVUKIIJSA-N
MW184.04 g/mol
LogP2.38
Rot. Bonds

About CID 170927124

CID 170927124 (PubChem CID 170927124) has the molecular formula C12H7BO and a molecular weight of 184.04 g/mol.

Molecular Properties

Compound NameCID 170927124
PubChem CID170927124
Molecular FormulaC12H7BO
Molecular Weight184.04 g/mol
Exact Mass184.10
IUPAC Name—
SMILES[2H]c1cc2c(oc3c([2H])c([2H])c([2H])c([B])c32)c([2H])c1[2H]
InChIInChI=1S/C12H7BO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H/i1D,2D,3D,5D,6D,7D
InChIKeyHGVQVSHFWYKOCV-TXVUKIIJSA-N
XLogP2.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.04
LogP ≤ 52.38
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

1,2,3,4,6,7,8-heptadeuteriodibenzofuran
CID 90996406
CID 171457223
CID 171457223
1,2,3,4,6,7,8-heptadeuterio-9-[1,2,3,4,5,6,7-heptadeuterio-10-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)anthracen-9-yl]dibenzofuran
CID 166587480
1,2,3,4,6,7,8-heptadeuterio-9-[4-[2,3,6,7-tetradeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 167406745
1,2,3,4,6,7,8-heptadeuterio-9-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran;2,3,4,6,7,8-hexadeuterio-1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 167649623
1,2,3,4,6,7,8-heptadeuterio-9-(2,3,6,7-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 167405512
1,2,3,4,6,7,9-heptadeuterio-8-[2,3,6,7-tetradeuterio-10-(3,4,5-trideuteriophenyl)anthracen-9-yl]dibenzofuran
CID 167406451
1,2,3,4,5,6,8,9,11-nonadeuterio-10-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9,10-octadeuteriophenanthren-4-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 167347146
CID 88536732
CID 88536732
1,2,3,4,6,7,8-heptadeuterio-9-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 153436517
1,2,3,4,6,7,8-heptadeuterio-9-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 167406414
1,2,3,4,6,7,8-heptadeuterio-9-[2,3,6,7-tetradeuterio-10-[2,3,5,6-tetradeuterio-4-(4,5,6,7,8-pentadeuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 167406200

Frequently Asked Questions

What is the IUPAC name of CID 170927124?
The IUPAC name of CID 170927124 (CID 170927124) is not available.
What is the SMILES notation for CID 170927124?
The canonical SMILES for CID 170927124 is [2H]c1cc2c(oc3c([2H])c([2H])c([2H])c([B])c32)c([2H])c1[2H].
What is the InChIKey of CID 170927124?
The InChIKey is HGVQVSHFWYKOCV-TXVUKIIJSA-N. The full InChI is InChI=1S/C12H7BO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H/i1D,2D,3D,5D,6D,7D.
What are the key properties of CID 170927124?
CID 170927124 has a molecular weight of 184.04 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170927124 is sourced from PubChem (CID 170927124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).