4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine

C51H40N2 — CID 90297495

About 4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine

4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine (PubChem CID 90297495) has the molecular formula C51H40N2 and a molecular weight of 680.90 g/mol. Its IUPAC name is 4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine.

Molecular Properties

• Compound Name: 4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine
• PubChem CID: 90297495
• Molecular Formula: C51H40N2
• Molecular Weight: 680.90 g/mol
• Exact Mass: 680.32
• IUPAC Name: 4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine
• SMILES: CC1(C)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2ccncc2)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2ccncc2)c2ccccc2c1-3
• InChI: InChI=1S/C51H40N2/c1-49(2)41-27-39-43(50(3,4)45-23-35(29-15-19-52-20-16-29)31-11-7-9-13-33(31)47(39)45)25-37(41)38-26-44-40(28-42(38)49)48-34-14-10-8-12-32(34)36(24-46(48)51(44,5)6)30-17-21-53-22-18-30/h7-28H,1-6H3
• InChIKey: APVCESRLNMGBGI-UHFFFAOYSA-N
• XLogP: 13.04
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.90
LogP ≤ 5	13.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine?

The IUPAC name of 4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine (CID 90297495) is 4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine.

What is the SMILES notation for 4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine?

The canonical SMILES for 4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine is CC1(C)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2ccncc2)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2ccncc2)c2ccccc2c1-3.

What is the InChIKey of 4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine?

The InChIKey is APVCESRLNMGBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2/c1-49(2)41-27-39-43(50(3,4)45-23-35(29-15-19-52-20-16-29)31-11-7-9-13-33(31)47(39)45)25-37(41)38-26-44-40(28-42(38)49)48-34-14-10-8-12-32(34)36(24-46(48)51(44,5)6)30-17-21-53-22-18-30/h7-28H,1-6H3.

What are the key properties of 4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine?

4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine has a molecular weight of 680.90 g/mol, XLogP of 13.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine is sourced from PubChem (CID 90297495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).