(1R,2R,14R,17R,18R,21R,24R,25R,26R)-7-fluoro-2,13,13,17,18,21-hexamethyl-24-prop-1-en-2-yl-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.021,25]octacosa-4(12),5(10),6,8-tetraene

C36H50FN — CID 118706716

About (1R,2R,14R,17R,18R,21R,24R,25R,26R)-7-fluoro-2,13,13,17,18,21-hexamethyl-24-prop-1-en-2-yl-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.021,25]octacosa-4(12),5(10),6,8-tetraene

(1R,2R,14R,17R,18R,21R,24R,25R,26R)-7-fluoro-2,13,13,17,18,21-hexamethyl-24-prop-1-en-2-yl-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.021,25]octacosa-4(12),5(10),6,8-tetraene (PubChem CID 118706716) has the molecular formula C36H50FN and a molecular weight of 515.80 g/mol. Its IUPAC name is (1R,2R,14R,17R,18R,21R,24R,25R,26R)-7-fluoro-2,13,13,17,18,21-hexamethyl-24-prop-1-en-2-yl-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.021,25]octacosa-4(12),5(10),6,8-tetraene.

Molecular Properties

• Compound Name: (1R,2R,14R,17R,18R,21R,24R,25R,26R)-7-fluoro-2,13,13,17,18,21-hexamethyl-24-prop-1-en-2-yl-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.021,25]octacosa-4(12),5(10),6,8-tetraene
• PubChem CID: 118706716
• Molecular Formula: C36H50FN
• Molecular Weight: 515.80 g/mol
• Exact Mass: 515.39
• IUPAC Name: (1R,2R,14R,17R,18R,21R,24R,25R,26R)-7-fluoro-2,13,13,17,18,21-hexamethyl-24-prop-1-en-2-yl-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.021,25]octacosa-4(12),5(10),6,8-tetraene
• SMILES: C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c([nH]c7ccc(F)cc67)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
• InChI: InChI=1S/C36H50FN/c1-21(2)23-13-15-33(5)17-18-35(7)26(30(23)33)10-12-29-34(6)20-25-24-19-22(37)9-11-27(24)38-31(25)32(3,4)28(34)14-16-36(29,35)8/h9,11,19,23,26,28-30,38H,1,10,12-18,20H2,2-8H3/t23-,26+,28-,29+,30+,33+,34-,35+,36+/m0/s1
• InChIKey: KOEKIOQRIZPVMP-SPUVNAPJSA-N
• XLogP: 10.00
• TPSA: 15.79 Ų
• H-Bond Donors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.80
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2R,14R,17R,18R,21R,24R,25R,26R)-7-fluoro-2,13,13,17,18,21-hexamethyl-24-prop-1-en-2-yl-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.021,25]octacosa-4(12),5(10),6,8-tetraene?

The IUPAC name of (1R,2R,14R,17R,18R,21R,24R,25R,26R)-7-fluoro-2,13,13,17,18,21-hexamethyl-24-prop-1-en-2-yl-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.021,25]octacosa-4(12),5(10),6,8-tetraene (CID 118706716) is (1R,2R,14R,17R,18R,21R,24R,25R,26R)-7-fluoro-2,13,13,17,18,21-hexamethyl-24-prop-1-en-2-yl-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.021,25]octacosa-4(12),5(10),6,8-tetraene.

What is the SMILES notation for (1R,2R,14R,17R,18R,21R,24R,25R,26R)-7-fluoro-2,13,13,17,18,21-hexamethyl-24-prop-1-en-2-yl-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.021,25]octacosa-4(12),5(10),6,8-tetraene?

The canonical SMILES for (1R,2R,14R,17R,18R,21R,24R,25R,26R)-7-fluoro-2,13,13,17,18,21-hexamethyl-24-prop-1-en-2-yl-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.021,25]octacosa-4(12),5(10),6,8-tetraene is C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c([nH]c7ccc(F)cc67)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.

What is the InChIKey of (1R,2R,14R,17R,18R,21R,24R,25R,26R)-7-fluoro-2,13,13,17,18,21-hexamethyl-24-prop-1-en-2-yl-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.021,25]octacosa-4(12),5(10),6,8-tetraene?

The InChIKey is KOEKIOQRIZPVMP-SPUVNAPJSA-N. The full InChI is InChI=1S/C36H50FN/c1-21(2)23-13-15-33(5)17-18-35(7)26(30(23)33)10-12-29-34(6)20-25-24-19-22(37)9-11-27(24)38-31(25)32(3,4)28(34)14-16-36(29,35)8/h9,11,19,23,26,28-30,38H,1,10,12-18,20H2,2-8H3/t23-,26+,28-,29+,30+,33+,34-,35+,36+/m0/s1.

What are the key properties of (1R,2R,14R,17R,18R,21R,24R,25R,26R)-7-fluoro-2,13,13,17,18,21-hexamethyl-24-prop-1-en-2-yl-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.021,25]octacosa-4(12),5(10),6,8-tetraene?

(1R,2R,14R,17R,18R,21R,24R,25R,26R)-7-fluoro-2,13,13,17,18,21-hexamethyl-24-prop-1-en-2-yl-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.021,25]octacosa-4(12),5(10),6,8-tetraene has a molecular weight of 515.80 g/mol, XLogP of 10.00, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R,14R,17R,18R,21R,24R,25R,26R)-7-fluoro-2,13,13,17,18,21-hexamethyl-24-prop-1-en-2-yl-11-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.021,25]octacosa-4(12),5(10),6,8-tetraene is sourced from PubChem (CID 118706716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).