15,15-dimethyl-11-naphthalen-1-yl-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

C38H27N — CID 145018292

About 15,15-dimethyl-11-naphthalen-1-yl-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

15,15-dimethyl-11-naphthalen-1-yl-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (PubChem CID 145018292) has the molecular formula C38H27N and a molecular weight of 497.64 g/mol. Its IUPAC name is 15,15-dimethyl-11-naphthalen-1-yl-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 15,15-dimethyl-11-naphthalen-1-yl-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
• PubChem CID: 145018292
• Molecular Formula: C38H27N
• Molecular Weight: 497.64 g/mol
• Exact Mass: 497.21
• IUPAC Name: 15,15-dimethyl-11-naphthalen-1-yl-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
• SMILES: CC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5cccc6ccccc56)c4cc21)-c1ccccc1C3
• InChI: InChI=1S/C38H27N/c1-38(2)33-19-25-18-24-11-4-5-13-26(24)29(25)20-30(33)31-21-32-28-15-7-8-16-36(28)39(37(32)22-34(31)38)35-17-9-12-23-10-3-6-14-27(23)35/h3-17,19-22H,18H2,1-2H3
• InChIKey: WCVGJTWAYAOQDR-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.64
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-11-naphthalen-1-yl-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

The IUPAC name of 15,15-dimethyl-11-naphthalen-1-yl-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (CID 145018292) is 15,15-dimethyl-11-naphthalen-1-yl-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.

What is the SMILES notation for 15,15-dimethyl-11-naphthalen-1-yl-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

The canonical SMILES for 15,15-dimethyl-11-naphthalen-1-yl-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is CC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5cccc6ccccc56)c4cc21)-c1ccccc1C3.

What is the InChIKey of 15,15-dimethyl-11-naphthalen-1-yl-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

The InChIKey is WCVGJTWAYAOQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N/c1-38(2)33-19-25-18-24-11-4-5-13-26(24)29(25)20-30(33)31-21-32-28-15-7-8-16-36(28)39(37(32)22-34(31)38)35-17-9-12-23-10-3-6-14-27(23)35/h3-17,19-22H,18H2,1-2H3.

What are the key properties of 15,15-dimethyl-11-naphthalen-1-yl-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

15,15-dimethyl-11-naphthalen-1-yl-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene has a molecular weight of 497.64 g/mol, XLogP of 9.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 15,15-dimethyl-11-naphthalen-1-yl-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 145018292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).