CID 89063916

C19H12BN — CID 89063916

IUPAC—
SMILES[B]c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C19H12BN/c20-16-10-7-14(8-11-16)18-12-9-15-6-5-13-3-1-2-4-17(13)19(15)21-18/h1-12H
InChIKeyHPPINZVRKPWTMD-UHFFFAOYSA-N
MW265.12 g/mol
LogP3.85
Rot. Bonds1

About CID 89063916

CID 89063916 (PubChem CID 89063916) has the molecular formula C19H12BN and a molecular weight of 265.12 g/mol.

Molecular Properties

Compound NameCID 89063916
PubChem CID89063916
Molecular FormulaC19H12BN
Molecular Weight265.12 g/mol
Exact Mass265.11
IUPAC Name—
SMILES[B]c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C19H12BN/c20-16-10-7-14(8-11-16)18-12-9-15-6-5-13-3-1-2-4-17(13)19(15)21-18/h1-12H
InChIKeyHPPINZVRKPWTMD-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
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(4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane
CID 165070719
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CID 59010374
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2-(10-phenylanthracen-9-yl)benzo[h]quinoline
CID 59629573
9-naphthalen-1-yl-2-[4-[2-[4-(9-naphthalen-1-ylbenzo[h]quinolin-2-yl)phenyl]phenyl]phenyl]benzo[h]quinoline
CID 59010410
2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 134596708
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CID 155022869
(4-benzo[h]quinolin-2-ylphenyl)-naphthalen-2-yl-phenyl-selanylidene-λ5-phosphane
CID 164986129
2-[9,10-bis(4-fluorophenyl)anthracen-2-yl]benzo[h]quinoline
CID 58323802

Frequently Asked Questions

What is the IUPAC name of CID 89063916?
The IUPAC name of CID 89063916 (CID 89063916) is not available.
What is the SMILES notation for CID 89063916?
The canonical SMILES for CID 89063916 is [B]c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1.
What is the InChIKey of CID 89063916?
The InChIKey is HPPINZVRKPWTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BN/c20-16-10-7-14(8-11-16)18-12-9-15-6-5-13-3-1-2-4-17(13)19(15)21-18/h1-12H.
What are the key properties of CID 89063916?
CID 89063916 has a molecular weight of 265.12 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89063916 is sourced from PubChem (CID 89063916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).