3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline

C35H27BN2 — CID 172691530

IUPAC3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline
SMILESc1ccc(B(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccccn2)cc1
InChIInChI=1S/C35H27BN2/c1-5-15-28(16-6-1)36(29-17-7-2-8-18-29)34-27-32(24-25-33(34)35-23-13-14-26-37-35)38(30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-27H
InChIKeyBSZCMPVJLVJVJW-UHFFFAOYSA-N
MW486.43 g/mol
LogP6.73
Rot. Bonds7

About 3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline

3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline (PubChem CID 172691530) has the molecular formula C35H27BN2 and a molecular weight of 486.43 g/mol. Its IUPAC name is 3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline.

Molecular Properties

Compound Name3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline
PubChem CID172691530
Molecular FormulaC35H27BN2
Molecular Weight486.43 g/mol
Exact Mass486.23
IUPAC Name3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline
SMILESc1ccc(B(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccccn2)cc1
InChIInChI=1S/C35H27BN2/c1-5-15-28(16-6-1)36(29-17-7-2-8-18-29)34-27-32(24-25-33(34)35-23-13-14-26-37-35)38(30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-27H
InChIKeyBSZCMPVJLVJVJW-UHFFFAOYSA-N
XLogP6.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.43
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dipyridin-2-yl-4-pyridinyl)-N-phenyl-2,6-dipyridin-2-ylpyridin-4-amine
CID 102395137
N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
CID 122435802
N,N-diphenylaniline;2,3-dipyridin-2-ylpyridine;manganese
CID 174834499
4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline
CID 158419974
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-pyridin-2-ylphenyl)anthracen-2-amine
CID 59211049
N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline
CID 140587043
3-N,3-N,6-N,6-N-tetraphenyl-9-[4-(4-pyridin-2-ylphenyl)phenyl]carbazole-3,6-diamine
CID 130354274
iridium;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
CID 58793250
N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine
CID 118122927
N-[4-bis[4-(dipyridin-2-ylamino)phenyl]boranylphenyl]-N-pyridin-2-ylpyridin-2-amine
CID 71420299
4,5-bis(diphenylboranyl)-1-N,1-N,8-N,8-N-tetraphenylanthracene-1,8-diamine
CID 145009501
N,N-dimethyl-4-phenyl-3-pyridin-2-ylaniline
CID 139252241

Frequently Asked Questions

What is the IUPAC name of 3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline?
The IUPAC name of 3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline (CID 172691530) is 3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline.
What is the SMILES notation for 3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline?
The canonical SMILES for 3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline is c1ccc(B(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccccn2)cc1.
What is the InChIKey of 3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline?
The InChIKey is BSZCMPVJLVJVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27BN2/c1-5-15-28(16-6-1)36(29-17-7-2-8-18-29)34-27-32(24-25-33(34)35-23-13-14-26-37-35)38(30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-27H.
What are the key properties of 3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline?
3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline has a molecular weight of 486.43 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylboranyl-N,N-diphenyl-4-pyridin-2-ylaniline is sourced from PubChem (CID 172691530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).