4-N,4-N-bis(4-nonyl-2-pyridinyl)benzene-1,4-diamine;4-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-pyridinyl)pyridin-2-amine;4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-methoxyphenyl)pyridin-2-amine;4-fluoro-N-(4-fluorophenyl)-N-(4-fluoro-2-pyridinyl)pyridin-2-amine;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine

C138H179F3N16O2 — CID 157072071

About 4-N,4-N-bis(4-nonyl-2-pyridinyl)benzene-1,4-diamine;4-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-pyridinyl)pyridin-2-amine;4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-methoxyphenyl)pyridin-2-amine;4-fluoro-N-(4-fluorophenyl)-N-(4-fluoro-2-pyridinyl)pyridin-2-amine;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine

4-N,4-N-bis(4-nonyl-2-pyridinyl)benzene-1,4-diamine;4-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-pyridinyl)pyridin-2-amine;4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-methoxyphenyl)pyridin-2-amine;4-fluoro-N-(4-fluorophenyl)-N-(4-fluoro-2-pyridinyl)pyridin-2-amine;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine (PubChem CID 157072071) has the molecular formula C138H179F3N16O2 and a molecular weight of 2151.05 g/mol. Its IUPAC name is 4-N,4-N-bis(4-nonyl-2-pyridinyl)benzene-1,4-diamine;4-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-pyridinyl)pyridin-2-amine;4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-methoxyphenyl)pyridin-2-amine;4-fluoro-N-(4-fluorophenyl)-N-(4-fluoro-2-pyridinyl)pyridin-2-amine;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-N,4-N-bis(4-nonyl-2-pyridinyl)benzene-1,4-diamine;4-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-pyridinyl)pyridin-2-amine;4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-methoxyphenyl)pyridin-2-amine;4-fluoro-N-(4-fluorophenyl)-N-(4-fluoro-2-pyridinyl)pyridin-2-amine;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine
• PubChem CID: 157072071
• Molecular Formula: C138H179F3N16O2
• Molecular Weight: 2151.05 g/mol
• Exact Mass: 2149.43
• IUPAC Name: 4-N,4-N-bis(4-nonyl-2-pyridinyl)benzene-1,4-diamine;4-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-pyridinyl)pyridin-2-amine;4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-methoxyphenyl)pyridin-2-amine;4-fluoro-N-(4-fluorophenyl)-N-(4-fluoro-2-pyridinyl)pyridin-2-amine;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine
• SMILES: CC(C)(C)c1ccc(N(c2cc(C(C)(C)C)ccn2)c2cc(C(C)(C)C)ccn2)cc1.CCCCCCCCCc1ccnc(N(c2ccc(N)cc2)c2cc(CCCCCCCCC)ccn2)c1.CCCCCCCCCc1ccnc(N(c2ccc(OC)cc2)c2cc(CCCCCCCCC)ccn2)c1.COc1ccc(N(c2cc(C(C)(C)C)ccn2)c2cc(C(C)(C)C)ccn2)cc1.Fc1ccc(N(c2cc(F)ccn2)c2cc(F)ccn2)cc1
• InChI: InChI=1S/C35H51N3O.C34H50N4.C28H37N3.C25H31N3O.C16H10F3N3/c1-4-6-8-10-12-14-16-18-30-24-26-36-34(28-30)38(32-20-22-33(39-3)23-21-32)35-29-31(25-27-37-35)19-17-15-13-11-9-7-5-2;1-3-5-7-9-11-13-15-17-29-23-25-36-33(27-29)38(32-21-19-31(35)20-22-32)34-28-30(24-26-37-34)18-16-14-12-10-8-6-4-2;1-26(2,3)20-10-12-23(13-11-20)31(24-18-21(14-16-29-24)27(4,5)6)25-19-22(15-17-30-25)28(7,8)9;1-24(2,3)18-12-14-26-22(16-18)28(20-8-10-21(29-7)11-9-20)23-17-19(13-15-27-23)25(4,5)6;17-11-1-3-14(4-2-11)22(15-9-12(18)5-7-20-15)16-10-13(19)6-8-21-16/h20-29H,4-19H2,1-3H3;19-28H,3-18,35H2,1-2H3;10-19H,1-9H3;8-17H,1-7H3;1-10H
• InChIKey: ACNXMGWDVHJLCX-UHFFFAOYSA-N
• XLogP: 39.41
• TPSA: 189.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 49
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2151.05
LogP ≤ 5	39.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(4-nonyl-2-pyridinyl)benzene-1,4-diamine;4-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-pyridinyl)pyridin-2-amine;4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-methoxyphenyl)pyridin-2-amine;4-fluoro-N-(4-fluorophenyl)-N-(4-fluoro-2-pyridinyl)pyridin-2-amine;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine?

The IUPAC name of 4-N,4-N-bis(4-nonyl-2-pyridinyl)benzene-1,4-diamine;4-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-pyridinyl)pyridin-2-amine;4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-methoxyphenyl)pyridin-2-amine;4-fluoro-N-(4-fluorophenyl)-N-(4-fluoro-2-pyridinyl)pyridin-2-amine;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine (CID 157072071) is 4-N,4-N-bis(4-nonyl-2-pyridinyl)benzene-1,4-diamine;4-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-pyridinyl)pyridin-2-amine;4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-methoxyphenyl)pyridin-2-amine;4-fluoro-N-(4-fluorophenyl)-N-(4-fluoro-2-pyridinyl)pyridin-2-amine;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine.

What is the SMILES notation for 4-N,4-N-bis(4-nonyl-2-pyridinyl)benzene-1,4-diamine;4-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-pyridinyl)pyridin-2-amine;4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-methoxyphenyl)pyridin-2-amine;4-fluoro-N-(4-fluorophenyl)-N-(4-fluoro-2-pyridinyl)pyridin-2-amine;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine?

The canonical SMILES for 4-N,4-N-bis(4-nonyl-2-pyridinyl)benzene-1,4-diamine;4-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-pyridinyl)pyridin-2-amine;4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-methoxyphenyl)pyridin-2-amine;4-fluoro-N-(4-fluorophenyl)-N-(4-fluoro-2-pyridinyl)pyridin-2-amine;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine is CC(C)(C)c1ccc(N(c2cc(C(C)(C)C)ccn2)c2cc(C(C)(C)C)ccn2)cc1.CCCCCCCCCc1ccnc(N(c2ccc(N)cc2)c2cc(CCCCCCCCC)ccn2)c1.CCCCCCCCCc1ccnc(N(c2ccc(OC)cc2)c2cc(CCCCCCCCC)ccn2)c1.COc1ccc(N(c2cc(C(C)(C)C)ccn2)c2cc(C(C)(C)C)ccn2)cc1.Fc1ccc(N(c2cc(F)ccn2)c2cc(F)ccn2)cc1.

What is the InChIKey of 4-N,4-N-bis(4-nonyl-2-pyridinyl)benzene-1,4-diamine;4-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-pyridinyl)pyridin-2-amine;4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-methoxyphenyl)pyridin-2-amine;4-fluoro-N-(4-fluorophenyl)-N-(4-fluoro-2-pyridinyl)pyridin-2-amine;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine?

The InChIKey is ACNXMGWDVHJLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N3O.C34H50N4.C28H37N3.C25H31N3O.C16H10F3N3/c1-4-6-8-10-12-14-16-18-30-24-26-36-34(28-30)38(32-20-22-33(39-3)23-21-32)35-29-31(25-27-37-35)19-17-15-13-11-9-7-5-2;1-3-5-7-9-11-13-15-17-29-23-25-36-33(27-29)38(32-21-19-31(35)20-22-32)34-28-30(24-26-37-34)18-16-14-12-10-8-6-4-2;1-26(2,3)20-10-12-23(13-11-20)31(24-18-21(14-16-29-24)27(4,5)6)25-19-22(15-17-30-25)28(7,8)9;1-24(2,3)18-12-14-26-22(16-18)28(20-8-10-21(29-7)11-9-20)23-17-19(13-15-27-23)25(4,5)6;17-11-1-3-14(4-2-11)22(15-9-12(18)5-7-20-15)16-10-13(19)6-8-21-16/h20-29H,4-19H2,1-3H3;19-28H,3-18,35H2,1-2H3;10-19H,1-9H3;8-17H,1-7H3;1-10H.

What are the key properties of 4-N,4-N-bis(4-nonyl-2-pyridinyl)benzene-1,4-diamine;4-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-pyridinyl)pyridin-2-amine;4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-methoxyphenyl)pyridin-2-amine;4-fluoro-N-(4-fluorophenyl)-N-(4-fluoro-2-pyridinyl)pyridin-2-amine;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine?

4-N,4-N-bis(4-nonyl-2-pyridinyl)benzene-1,4-diamine;4-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-pyridinyl)pyridin-2-amine;4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-methoxyphenyl)pyridin-2-amine;4-fluoro-N-(4-fluorophenyl)-N-(4-fluoro-2-pyridinyl)pyridin-2-amine;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 2151.05 g/mol, XLogP of 39.41, 49 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,4-N-bis(4-nonyl-2-pyridinyl)benzene-1,4-diamine;4-tert-butyl-N-(4-tert-butylphenyl)-N-(4-tert-butyl-2-pyridinyl)pyridin-2-amine;4-tert-butyl-N-(4-tert-butyl-2-pyridinyl)-N-(4-methoxyphenyl)pyridin-2-amine;4-fluoro-N-(4-fluorophenyl)-N-(4-fluoro-2-pyridinyl)pyridin-2-amine;N-(4-methoxyphenyl)-4-nonyl-N-(4-nonyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 157072071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).