N,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline

C90H99N9 — CID 158249805

IUPACN,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline
SMILESCCCCCCN(CCCCCC)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1.CCCCN(CCCC)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1.CCN(CC)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C34H41N3.C30H33N3.C26H25N3/c1-3-5-7-14-24-37(25-15-8-6-4-2)31-21-19-28(20-22-31)30-26-33(29-16-10-9-11-17-29)36-34(27-30)32-18-12-13-23-35-32;1-3-5-20-33(21-6-4-2)27-17-15-24(16-18-27)26-22-29(25-12-8-7-9-13-25)32-30(23-26)28-14-10-11-19-31-28;1-3-29(4-2)23-15-13-20(14-16-23)22-18-25(21-10-6-5-7-11-21)28-26(19-22)24-12-8-9-17-27-24/h9-13,16-23,26-27H,3-8,14-15,24-25H2,1-2H3;7-19,22-23H,3-6,20-21H2,1-2H3;5-19H,3-4H2,1-2H3
InChIKeyGGONURGCRMKGKF-UHFFFAOYSA-N
MW1306.84 g/mol
LogP23.65
Rot. Bonds30

About N,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline

N,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline (PubChem CID 158249805) has the molecular formula C90H99N9 and a molecular weight of 1306.84 g/mol. Its IUPAC name is N,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline.

Molecular Properties

Compound NameN,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline
PubChem CID158249805
Molecular FormulaC90H99N9
Molecular Weight1306.84 g/mol
Exact Mass1305.80
IUPAC NameN,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline
SMILESCCCCCCN(CCCCCC)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1.CCCCN(CCCC)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1.CCN(CC)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C34H41N3.C30H33N3.C26H25N3/c1-3-5-7-14-24-37(25-15-8-6-4-2)31-21-19-28(20-22-31)30-26-33(29-16-10-9-11-17-29)36-34(27-30)32-18-12-13-23-35-32;1-3-5-20-33(21-6-4-2)27-17-15-24(16-18-27)26-22-29(25-12-8-7-9-13-25)32-30(23-26)28-14-10-11-19-31-28;1-3-29(4-2)23-15-13-20(14-16-23)22-18-25(21-10-6-5-7-11-21)28-26(19-22)24-12-8-9-17-27-24/h9-13,16-23,26-27H,3-8,14-15,24-25H2,1-2H3;7-19,22-23H,3-6,20-21H2,1-2H3;5-19H,3-4H2,1-2H3
InChIKeyGGONURGCRMKGKF-UHFFFAOYSA-N
XLogP23.65
TPSA87.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001306.84
LogP ≤ 523.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline with MolForge

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Related Compounds

4,4'-Diphenyl-2,2'-bipyridine
CID 80259
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
3-Benzyl-1-[5-[2,4,5-tris[5-(3-benzylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159304
3-Phenyl-1-[5-[2,4,5-tris[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159538
Nemertelline
CID 3042423
4'-(4-Methylphenyl)-2,2'-6',2''-terpyridine
CID 146114
1~4~,2~4~,3~4~-Tri-tert-butyl-1~2~,2~2~:2~6~,3~2~-terpyridine
CID 4229824
Benzo(g)quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis-
CID 157284
Benzo(g)quinoline, 4,4'-(1,2-ethanediyldi-4,1-piperazinediyl)bis-
CID 3951536
1-[[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-[1-[[3-[[4-[4-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]phenyl]pyridin-1-ium-1-yl]methyl]-5-[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium heptadecahexafluorophosphate
CID 46889633

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline?
The IUPAC name of N,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline (CID 158249805) is N,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline.
What is the SMILES notation for N,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline?
The canonical SMILES for N,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline is CCCCCCN(CCCCCC)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1.CCCCN(CCCC)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1.CCN(CC)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of N,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline?
The InChIKey is GGONURGCRMKGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3.C30H33N3.C26H25N3/c1-3-5-7-14-24-37(25-15-8-6-4-2)31-21-19-28(20-22-31)30-26-33(29-16-10-9-11-17-29)36-34(27-30)32-18-12-13-23-35-32;1-3-5-20-33(21-6-4-2)27-17-15-24(16-18-27)26-22-29(25-12-8-7-9-13-25)32-30(23-26)28-14-10-11-19-31-28;1-3-29(4-2)23-15-13-20(14-16-23)22-18-25(21-10-6-5-7-11-21)28-26(19-22)24-12-8-9-17-27-24/h9-13,16-23,26-27H,3-8,14-15,24-25H2,1-2H3;7-19,22-23H,3-6,20-21H2,1-2H3;5-19H,3-4H2,1-2H3.
What are the key properties of N,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline?
N,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline has a molecular weight of 1306.84 g/mol, XLogP of 23.65, 30 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-diethyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline;N,N-dihexyl-4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)aniline is sourced from PubChem (CID 158249805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).