N,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine

C28H21N3 — CID 170523971

IUPACN,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine
SMILES[c-]1c(N(c2ccccc2)c2cccc(-c3ccccc3)n2)ccc[n+]1-c1ccccc1
InChIInChI=1S/C28H21N3/c1-4-12-23(13-5-1)27-19-10-20-28(29-27)31(25-16-8-3-9-17-25)26-18-11-21-30(22-26)24-14-6-2-7-15-24/h1-21H
InChIKeyUOISRABWDCXRSL-UHFFFAOYSA-N
MW399.50 g/mol
LogP6.30
Rot. Bonds5

About N,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine

N,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine (PubChem CID 170523971) has the molecular formula C28H21N3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine
PubChem CID170523971
Molecular FormulaC28H21N3
Molecular Weight399.50 g/mol
Exact Mass399.17
IUPAC NameN,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine
SMILES[c-]1c(N(c2ccccc2)c2cccc(-c3ccccc3)n2)ccc[n+]1-c1ccccc1
InChIInChI=1S/C28H21N3/c1-4-12-23(13-5-1)27-19-10-20-28(29-27)31(25-16-8-3-9-17-25)26-18-11-21-30(22-26)24-14-6-2-7-15-24/h1-21H
InChIKeyUOISRABWDCXRSL-UHFFFAOYSA-N
XLogP6.30
TPSA20.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.50
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
N,N-diphenyl-6-[9-[6-(N-phenylanilino)-2-pyridinyl]benzo[b]triphenylen-14-yl]pyridin-2-amine
CID 58855335
N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine
CID 140752711
6-(3H-1-benzofuran-3-id-2-yl)-N-phenyl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyridin-2-amine;platinum(2+)
CID 58704096
N-[3-[5-[2-[3,5-bis[2-[6-(3-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]-N,6-diphenylpyridin-2-amine
CID 156674183
N-phenyl-6-(1,3-thiazol-2-yl)-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]pyridin-2-amine
CID 140790959
6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine
CID 142374029
6-methyl-N,N-diphenylpyridin-2-amine
CID 101223687
N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
CID 122435802
iridium;[6-(N-phenylanilino)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanol
CID 58106961
4-[13,26,31,44,49-pentakis[4-(N-phenylanilino)phenyl]-3,9,12,18,21,27,30,36,39,45,48,54-dodecazatridecacyclo[36.16.0.02,19.04,17.05,10.011,16.020,37.022,35.023,28.029,34.040,53.041,46.047,52]tetrapentaconta-1(54),2,4(17),5(10),6,8,11(16),12,14,18,20,22(35),23(28),24,26,29(34),30,32,36,38,40(53),41(46),42,44,47(52),48,50-heptacosaen-8-yl]-N,N-diphenylaniline
CID 101461953
N-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine
CID 123785166

Frequently Asked Questions

What is the IUPAC name of N,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine?
The IUPAC name of N,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine (CID 170523971) is N,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine.
What is the SMILES notation for N,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine?
The canonical SMILES for N,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine is [c-]1c(N(c2ccccc2)c2cccc(-c3ccccc3)n2)ccc[n+]1-c1ccccc1.
What is the InChIKey of N,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine?
The InChIKey is UOISRABWDCXRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3/c1-4-12-23(13-5-1)27-19-10-20-28(29-27)31(25-16-8-3-9-17-25)26-18-11-21-30(22-26)24-14-6-2-7-15-24/h1-21H.
What are the key properties of N,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine?
N,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine has a molecular weight of 399.50 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diphenyl-N-(1-phenyl-2H-pyridin-1-ium-2-id-3-yl)pyridin-2-amine is sourced from PubChem (CID 170523971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).