N-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline

C28H28BN — CID 132542693

IUPACN-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline
SMILESCc1cccc(C)c1B(c1c(C)cccc1C)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28BN/c1-21-13-11-14-22(2)27(21)29(28-23(3)15-12-16-24(28)4)30(25-17-7-5-8-18-25)26-19-9-6-10-20-26/h5-20H,1-4H3
InChIKeyYVMXURWYDQOGNU-UHFFFAOYSA-N
MW389.35 g/mol
LogP5.86
Rot. Bonds5

About N-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline

N-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline (PubChem CID 132542693) has the molecular formula C28H28BN and a molecular weight of 389.35 g/mol. Its IUPAC name is N-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline.

Molecular Properties

Compound NameN-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline
PubChem CID132542693
Molecular FormulaC28H28BN
Molecular Weight389.35 g/mol
Exact Mass389.23
IUPAC NameN-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline
SMILESCc1cccc(C)c1B(c1c(C)cccc1C)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28BN/c1-21-13-11-14-22(2)27(21)29(28-23(3)15-12-16-24(28)4)30(25-17-7-5-8-18-25)26-19-9-6-10-20-26/h5-20H,1-4H3
InChIKeyYVMXURWYDQOGNU-UHFFFAOYSA-N
XLogP5.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.35
LogP ≤ 55.86
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

benzene;1,2-xylene
CID 161464493
(2,6-dimethylphenyl)-dimethylborane
CID 155791463
N-[(2,3-dimethylphenyl)methyl]-N-phenylaniline
CID 67257070
toluene;pentakis(1,2-xylene)
CID 173348315
toluene;bis(1,2-xylene)
CID 174594728
N,N-dibenzyl-4-bis(2,6-dimethylphenyl)boranylaniline
CID 91699983
N-(2,6-dimethylphenyl)-2,3,4,5,6-pentamethyl-N-phenylaniline
CID 88869874
1,2-xylene
CID 173422016
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
4-[bis(2,6-dimethylphenyl)boranyl-(2,2,2-trifluoroethyl)amino]phenol
CID 56661647
N-(2,3-dimethylphenyl)-N-phenylhydroxylamine
CID 141495337
2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline
CID 139772462

Frequently Asked Questions

What is the IUPAC name of N-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline?
The IUPAC name of N-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline (CID 132542693) is N-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline.
What is the SMILES notation for N-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline?
The canonical SMILES for N-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline is Cc1cccc(C)c1B(c1c(C)cccc1C)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline?
The InChIKey is YVMXURWYDQOGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28BN/c1-21-13-11-14-22(2)27(21)29(28-23(3)15-12-16-24(28)4)30(25-17-7-5-8-18-25)26-19-9-6-10-20-26/h5-20H,1-4H3.
What are the key properties of N-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline?
N-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline has a molecular weight of 389.35 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(2,6-dimethylphenyl)boranyl-N-phenylaniline is sourced from PubChem (CID 132542693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).