CID 123553635

C22H17BNO2 — CID 123553635

IUPAC—
SMILESO[B]Oc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H17BNO2/c25-23-26-20-15-13-19(14-16-20)24(18-9-2-1-3-10-18)22-12-6-8-17-7-4-5-11-21(17)22/h1-16,25H
InChIKeyKGHGCCVUTUMEMF-UHFFFAOYSA-N
MW338.20 g/mol
LogP5.21
Rot. Bonds5

About CID 123553635

CID 123553635 (PubChem CID 123553635) has the molecular formula C22H17BNO2 and a molecular weight of 338.20 g/mol.

Molecular Properties

Compound NameCID 123553635
PubChem CID123553635
Molecular FormulaC22H17BNO2
Molecular Weight338.20 g/mol
Exact Mass338.14
IUPAC Name—
SMILESO[B]Oc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H17BNO2/c25-23-26-20-15-13-19(14-16-20)24(18-9-2-1-3-10-18)22-12-6-8-17-7-4-5-11-21(17)22/h1-16,25H
InChIKeyKGHGCCVUTUMEMF-UHFFFAOYSA-N
XLogP5.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.20
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
N,N-diphenylnaphthalen-1-amine
CID 11392281
CID 170675897
CID 170675897
CID 170776887
CID 170776887
CID 170941910
CID 170941910
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258

Frequently Asked Questions

What is the IUPAC name of CID 123553635?
The IUPAC name of CID 123553635 (CID 123553635) is not available.
What is the SMILES notation for CID 123553635?
The canonical SMILES for CID 123553635 is O[B]Oc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of CID 123553635?
The InChIKey is KGHGCCVUTUMEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BNO2/c25-23-26-20-15-13-19(14-16-20)24(18-9-2-1-3-10-18)22-12-6-8-17-7-4-5-11-21(17)22/h1-16,25H.
What are the key properties of CID 123553635?
CID 123553635 has a molecular weight of 338.20 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123553635 is sourced from PubChem (CID 123553635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).