21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

C43H27NO — CID 118634892

About 21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (PubChem CID 118634892) has the molecular formula C43H27NO and a molecular weight of 573.70 g/mol. Its IUPAC name is 21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
• PubChem CID: 118634892
• Molecular Formula: C43H27NO
• Molecular Weight: 573.70 g/mol
• Exact Mass: 573.21
• IUPAC Name: 21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
• SMILES: CC1(C)c2ccccc2-c2c1c1c3ccccc3oc1c1c2c2ccccc2n1-c1ccc2c3c(cccc13)-c1ccccc1-2
• InChI: InChI=1S/C43H27NO/c1-43(2)32-19-8-5-14-28(32)37-38-30-15-6-9-20-33(30)44(41(38)42-39(40(37)43)31-16-7-10-21-35(31)45-42)34-23-22-27-25-13-4-3-12-24(25)26-17-11-18-29(34)36(26)27/h3-23H,1-2H3
• InChIKey: QFYBFOYIRAFLBC-UHFFFAOYSA-N
• XLogP: 11.79
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.70
LogP ≤ 5	11.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The IUPAC name of 21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (CID 118634892) is 21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

What is the SMILES notation for 21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The canonical SMILES for 21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is CC1(C)c2ccccc2-c2c1c1c3ccccc3oc1c1c2c2ccccc2n1-c1ccc2c3c(cccc13)-c1ccccc1-2.

What is the InChIKey of 21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The InChIKey is QFYBFOYIRAFLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO/c1-43(2)32-19-8-5-14-28(32)37-38-30-15-6-9-20-33(30)44(41(38)42-39(40(37)43)31-16-7-10-21-35(31)45-42)34-23-22-27-25-13-4-3-12-24(25)26-17-11-18-29(34)36(26)27/h3-23H,1-2H3.

What are the key properties of 21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene has a molecular weight of 573.70 g/mol, XLogP of 11.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 21-fluoranthen-3-yl-9,9-dimethyl-18-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is sourced from PubChem (CID 118634892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).