N-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline

C32H29N3 — CID 102285926

IUPACN-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline
SMILESCCCCN(c1ccccc1)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C32H29N3/c1-2-3-22-35(28-14-8-5-9-15-28)29-19-17-25(18-20-29)27-23-31(26-12-6-4-7-13-26)34-32(24-27)30-16-10-11-21-33-30/h4-21,23-24H,2-3,22H2,1H3
InChIKeyHKNFMVXUZWGJSM-UHFFFAOYSA-N
MW455.61 g/mol
LogP8.42
Rot. Bonds8

About N-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline

N-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline (PubChem CID 102285926) has the molecular formula C32H29N3 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline.

Molecular Properties

Compound NameN-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline
PubChem CID102285926
Molecular FormulaC32H29N3
Molecular Weight455.61 g/mol
Exact Mass455.24
IUPAC NameN-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline
SMILESCCCCN(c1ccccc1)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C32H29N3/c1-2-3-22-35(28-14-8-5-9-15-28)29-19-17-25(18-20-29)27-23-31(26-12-6-4-7-13-26)34-32(24-27)30-16-10-11-21-33-30/h4-21,23-24H,2-3,22H2,1H3
InChIKeyHKNFMVXUZWGJSM-UHFFFAOYSA-N
XLogP8.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.61
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-4-[(1E,3E)-4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]buta-1,3-dienyl]aniline
CID 101378722
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
4-(3,5-dipyridin-2-ylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 23528039
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 15434011
4-(4-octadecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 101424880
2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine
CID 102454997
4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine
CID 67471921
4-[5-(2,6-dipyridin-2-yl-4-pyridinyl)thiophen-2-yl]-N,N-dihexylaniline
CID 132522913
N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
CID 122435802
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730905
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline?
The IUPAC name of N-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline (CID 102285926) is N-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline.
What is the SMILES notation for N-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline?
The canonical SMILES for N-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline is CCCCN(c1ccccc1)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of N-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline?
The InChIKey is HKNFMVXUZWGJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3/c1-2-3-22-35(28-14-8-5-9-15-28)29-19-17-25(18-20-29)27-23-31(26-12-6-4-7-13-26)34-32(24-27)30-16-10-11-21-33-30/h4-21,23-24H,2-3,22H2,1H3.
What are the key properties of N-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline?
N-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline has a molecular weight of 455.61 g/mol, XLogP of 8.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline is sourced from PubChem (CID 102285926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).