CID 175078571

C20H14BN2 — CID 175078571

IUPAC—
SMILES[B].c1ccc2c(/N=N/c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C20H14N2.B/c1-3-11-17-15(7-1)9-5-13-19(17)21-22-20-14-6-10-16-8-2-4-12-18(16)20;/h1-14H;/b22-21+;
InChIKeyRCYKHTUDEKGSPC-QUABFQRHSA-N
MW293.16 g/mol
LogP6.03
Rot. Bonds2

About CID 175078571

CID 175078571 (PubChem CID 175078571) has the molecular formula C20H14BN2 and a molecular weight of 293.16 g/mol.

Molecular Properties

Compound NameCID 175078571
PubChem CID175078571
Molecular FormulaC20H14BN2
Molecular Weight293.16 g/mol
Exact Mass293.13
IUPAC Name—
SMILES[B].c1ccc2c(/N=N/c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C20H14N2.B/c1-3-11-17-15(7-1)9-5-13-19(17)21-22-20-14-6-10-16-8-2-4-12-18(16)20;/h1-14H;/b22-21+;
InChIKeyRCYKHTUDEKGSPC-QUABFQRHSA-N
XLogP6.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.16
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2-bromophenyl)-naphthalen-1-yldiazene
CID 581691
methyl-[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazene
CID 21337324
[2-(naphthalen-1-yldiazenyl)phenyl]methanamine
CID 161282982
ethane;naphthalen-1-yl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 91607155
(4-methylphenyl)-naphthalen-1-yldiazene
CID 20700715
naphthalen-1-yl-(2-naphthalen-1-ylnaphthalen-1-yl)diazene
CID 87715057
(3-iodophenyl)-naphthalen-1-yldiazene
CID 132533459
4-(naphthalen-1-yldiazenyl)naphthalene-1,5-diol
CID 136784114
N-naphthalen-1-yliminomethanesulfonamide
CID 166448164
N'-naphthalen-1-ylmethanimidamide
CID 86244741
4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine
CID 135510724
3-(naphthalen-1-yldiazenyl)naphthalene-1,2-disulfonic acid
CID 87303681

Frequently Asked Questions

What is the IUPAC name of CID 175078571?
The IUPAC name of CID 175078571 (CID 175078571) is not available.
What is the SMILES notation for CID 175078571?
The canonical SMILES for CID 175078571 is [B].c1ccc2c(/N=N/c3cccc4ccccc34)cccc2c1.
What is the InChIKey of CID 175078571?
The InChIKey is RCYKHTUDEKGSPC-QUABFQRHSA-N. The full InChI is InChI=1S/C20H14N2.B/c1-3-11-17-15(7-1)9-5-13-19(17)21-22-20-14-6-10-16-8-2-4-12-18(16)20;/h1-14H;/b22-21+;.
What are the key properties of CID 175078571?
CID 175078571 has a molecular weight of 293.16 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175078571 is sourced from PubChem (CID 175078571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).