CID 89263923

C18H13B2N — CID 89263923

IUPAC—
SMILES[B]c1ccc(N(c2ccccc2)c2ccc([B])cc2)cc1
InChIInChI=1S/C18H13B2N/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H
InChIKeyLJWHXUCJGLMJQB-UHFFFAOYSA-N
MW264.93 g/mol
LogP2.74
Rot. Bonds3

About CID 89263923

CID 89263923 (PubChem CID 89263923) has the molecular formula C18H13B2N and a molecular weight of 264.93 g/mol.

Molecular Properties

Compound NameCID 89263923
PubChem CID89263923
Molecular FormulaC18H13B2N
Molecular Weight264.93 g/mol
Exact Mass265.12
IUPAC Name—
SMILES[B]c1ccc(N(c2ccccc2)c2ccc([B])cc2)cc1
InChIInChI=1S/C18H13B2N/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H
InChIKeyLJWHXUCJGLMJQB-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.93
LogP ≤ 52.74
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

CID 88970975
CID 88970975
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
N,N-diphenylaniline;silane
CID 131739129
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N,N-diphenylaniline;ethene
CID 135186601
acetylene;N,N-diphenylaniline
CID 162160270
azane;N,N-diphenylaniline;methane
CID 174725062
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736

Frequently Asked Questions

What is the IUPAC name of CID 89263923?
The IUPAC name of CID 89263923 (CID 89263923) is not available.
What is the SMILES notation for CID 89263923?
The canonical SMILES for CID 89263923 is [B]c1ccc(N(c2ccccc2)c2ccc([B])cc2)cc1.
What is the InChIKey of CID 89263923?
The InChIKey is LJWHXUCJGLMJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13B2N/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H.
What are the key properties of CID 89263923?
CID 89263923 has a molecular weight of 264.93 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89263923 is sourced from PubChem (CID 89263923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).