N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine

C29H31N3 — CID 10971868

IUPACN-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine
SMILESCCCCCCCc1ccc(Nc2cc(-c3ccccc3)c(-c3ccccc3)nn2)cc1
InChIInChI=1S/C29H31N3/c1-2-3-4-5-8-13-23-18-20-26(21-19-23)30-28-22-27(24-14-9-6-10-15-24)29(32-31-28)25-16-11-7-12-17-25/h6-7,9-12,14-22H,2-5,8,13H2,1H3,(H,30,31)
InChIKeyLYPPGRCJCPUHDK-UHFFFAOYSA-N
MW421.59 g/mol
LogP8.07
Rot. Bonds10

About N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine

N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine (PubChem CID 10971868) has the molecular formula C29H31N3 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine.

Molecular Properties

Compound NameN-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine
PubChem CID10971868
Molecular FormulaC29H31N3
Molecular Weight421.59 g/mol
Exact Mass421.25
IUPAC NameN-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine
SMILESCCCCCCCc1ccc(Nc2cc(-c3ccccc3)c(-c3ccccc3)nn2)cc1
InChIInChI=1S/C29H31N3/c1-2-3-4-5-8-13-23-18-20-26(21-19-23)30-28-22-27(24-14-9-6-10-15-24)29(32-31-28)25-16-11-7-12-17-25/h6-7,9-12,14-22H,2-5,8,13H2,1H3,(H,30,31)
InChIKeyLYPPGRCJCPUHDK-UHFFFAOYSA-N
XLogP8.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-5,6-diphenylpyridazin-3-amine
CID 11110352
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
1-pentadecyl-4-phenylbenzene
CID 57166115
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
6-heptylsulfanyl-3,4-diphenylpyridazine
CID 11035840
1-(4-anilinophenyl)octadecan-8-ol
CID 101298383
1-(4-anilinophenyl)pentadecan-8-ol
CID 101298332
1-(4-anilinophenyl)tridecan-5-ol
CID 101298306
4-(4-butylphenyl)-N-phenylaniline
CID 141426915
3,5-didecyl-N-(4-decylphenyl)aniline
CID 102438287
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480

Frequently Asked Questions

What is the IUPAC name of N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine?
The IUPAC name of N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine (CID 10971868) is N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine.
What is the SMILES notation for N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine?
The canonical SMILES for N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine is CCCCCCCc1ccc(Nc2cc(-c3ccccc3)c(-c3ccccc3)nn2)cc1.
What is the InChIKey of N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine?
The InChIKey is LYPPGRCJCPUHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3/c1-2-3-4-5-8-13-23-18-20-26(21-19-23)30-28-22-27(24-14-9-6-10-15-24)29(32-31-28)25-16-11-7-12-17-25/h6-7,9-12,14-22H,2-5,8,13H2,1H3,(H,30,31).
What are the key properties of N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine?
N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine has a molecular weight of 421.59 g/mol, XLogP of 8.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine is sourced from PubChem (CID 10971868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).