3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene

C43H32N2 — CID 130381885

About 3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene

3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene (PubChem CID 130381885) has the molecular formula C43H32N2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene.

Molecular Properties

• Compound Name: 3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene
• PubChem CID: 130381885
• Molecular Formula: C43H32N2
• Molecular Weight: 576.74 g/mol
• Exact Mass: 576.26
• IUPAC Name: 3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene
• SMILES: CC1(C)c2ccccc2-c2cc3ccc4cc5c(c6c4c3c(c21)n6-c1cccc(-c2cccnc2)c1)C(C)(C)c1ccccc1-5
• InChI: InChI=1S/C43H32N2/c1-42(2)34-16-7-5-14-30(34)32-22-26-18-19-27-23-33-31-15-6-8-17-35(31)43(3,4)39(33)41-37(27)36(26)40(38(32)42)45(41)29-13-9-11-25(21-29)28-12-10-20-44-24-28/h5-24H,1-4H3
• InChIKey: UTLAOLJUGZRHMU-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.74
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene?

The IUPAC name of 3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene (CID 130381885) is 3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene.

What is the SMILES notation for 3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene?

The canonical SMILES for 3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene is CC1(C)c2ccccc2-c2cc3ccc4cc5c(c6c4c3c(c21)n6-c1cccc(-c2cccnc2)c1)C(C)(C)c1ccccc1-5.

What is the InChIKey of 3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene?

The InChIKey is UTLAOLJUGZRHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2/c1-42(2)34-16-7-5-14-30(34)32-22-26-18-19-27-23-33-31-15-6-8-17-35(31)43(3,4)39(33)41-37(27)36(26)40(38(32)42)45(41)29-13-9-11-25(21-29)28-12-10-20-44-24-28/h5-24H,1-4H3.

What are the key properties of 3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene?

3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene has a molecular weight of 576.74 g/mol, XLogP of 11.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,24,24-tetramethyl-29-(3-pyridin-3-ylphenyl)-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene is sourced from PubChem (CID 130381885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).