9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

C47H31N — CID 118581003

About 9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (PubChem CID 118581003) has the molecular formula C47H31N and a molecular weight of 609.77 g/mol. Its IUPAC name is 9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

Molecular Properties

• Compound Name: 9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
• PubChem CID: 118581003
• Molecular Formula: C47H31N
• Molecular Weight: 609.77 g/mol
• Exact Mass: 609.25
• IUPAC Name: 9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
• SMILES: CC1(C)c2ccccc2-c2c1c1ccccc1c1c2c2ccccc2n1-c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1
• InChI: InChI=1S/C47H31N/c1-47(2)40-20-9-7-16-38(40)43-44-39-17-8-10-21-41(39)48(46(44)37-15-6-5-14-36(37)45(43)47)29-24-22-28(23-25-29)30-26-27-35-32-13-4-3-12-31(32)34-19-11-18-33(30)42(34)35/h3-27H,1-2H3
• InChIKey: MZMKRFYHTQKEGT-UHFFFAOYSA-N
• XLogP: 12.71
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.77
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

The IUPAC name of 9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (CID 118581003) is 9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

What is the SMILES notation for 9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

The canonical SMILES for 9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is CC1(C)c2ccccc2-c2c1c1ccccc1c1c2c2ccccc2n1-c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1.

What is the InChIKey of 9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

The InChIKey is MZMKRFYHTQKEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N/c1-47(2)40-20-9-7-16-38(40)43-44-39-17-8-10-21-41(39)48(46(44)37-15-6-5-14-36(37)45(43)47)29-24-22-28(23-25-29)30-26-27-35-32-13-4-3-12-31(32)34-19-11-18-33(30)42(34)35/h3-27H,1-2H3.

What are the key properties of 9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?

9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene has a molecular weight of 609.77 g/mol, XLogP of 12.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 118581003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).