14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene

C47H41N — CID 134171900

About 14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene

14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene (PubChem CID 134171900) has the molecular formula C47H41N and a molecular weight of 619.85 g/mol. Its IUPAC name is 14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene.

Molecular Properties

• Compound Name: 14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
• PubChem CID: 134171900
• Molecular Formula: C47H41N
• Molecular Weight: 619.85 g/mol
• Exact Mass: 619.32
• IUPAC Name: 14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
• SMILES: CC(C)c1ccc2cc3c(cc2c1)c1cc(-c2ccc4c(c2)C(C)(C)[C@@H]2CC=CC=C42)cc2c4cc5cc(C(C)C)ccc5cc4n3c12
• InChI: InChI=1S/C47H41N/c1-26(2)28-11-13-31-24-44-38(19-33(31)17-28)40-21-35(30-15-16-37-36-9-7-8-10-42(36)47(5,6)43(37)23-30)22-41-39-20-34-18-29(27(3)4)12-14-32(34)25-45(39)48(44)46(40)41/h7-9,11-27,42H,10H2,1-6H3/t42-/m1/s1
• InChIKey: RJWRHYYAZAURBM-HUESYALOSA-N
• XLogP: 13.31
• TPSA: 4.41 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.85
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene?

The IUPAC name of 14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene (CID 134171900) is 14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene.

What is the SMILES notation for 14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene?

The canonical SMILES for 14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene is CC(C)c1ccc2cc3c(cc2c1)c1cc(-c2ccc4c(c2)C(C)(C)[C@@H]2CC=CC=C42)cc2c4cc5cc(C(C)C)ccc5cc4n3c12.

What is the InChIKey of 14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene?

The InChIKey is RJWRHYYAZAURBM-HUESYALOSA-N. The full InChI is InChI=1S/C47H41N/c1-26(2)28-11-13-31-24-44-38(19-33(31)17-28)40-21-35(30-15-16-37-36-9-7-8-10-42(36)47(5,6)43(37)23-30)22-41-39-20-34-18-29(27(3)4)12-14-32(34)25-45(39)48(44)46(40)41/h7-9,11-27,42H,10H2,1-6H3/t42-/m1/s1.

What are the key properties of 14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene?

14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene has a molecular weight of 619.85 g/mol, XLogP of 13.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[(8aS)-9,9-dimethyl-8,8a-dihydrofluoren-2-yl]-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene is sourced from PubChem (CID 134171900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).