15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene

C40H30N2 — CID 146246041

About 15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene

15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene (PubChem CID 146246041) has the molecular formula C40H30N2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene.

Molecular Properties

• Compound Name: 15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene
• PubChem CID: 146246041
• Molecular Formula: C40H30N2
• Molecular Weight: 538.69 g/mol
• Exact Mass: 538.24
• IUPAC Name: 15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene
• SMILES: CC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5ccccc5)c4cc21)c1c(n3-c2ccccc2)C=CCC=C1
• InChI: InChI=1S/C40H30N2/c1-40(2)34-24-38-32(28-18-10-5-11-20-36(28)41(38)26-14-6-3-7-15-26)22-30(34)31-23-33-29-19-12-13-21-37(29)42(39(33)25-35(31)40)27-16-8-4-9-17-27/h3-4,6-25H,5H2,1-2H3
• InChIKey: QCFNFLJKNGNFHW-UHFFFAOYSA-N
• XLogP: 10.46
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.69
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene?

The IUPAC name of 15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene (CID 146246041) is 15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene.

What is the SMILES notation for 15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene?

The canonical SMILES for 15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene is CC1(C)c2cc3c(cc2-c2cc4c5ccccc5n(-c5ccccc5)c4cc21)c1c(n3-c2ccccc2)C=CCC=C1.

What is the InChIKey of 15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene?

The InChIKey is QCFNFLJKNGNFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2/c1-40(2)34-24-38-32(28-18-10-5-11-20-36(28)41(38)26-14-6-3-7-15-26)22-30(34)31-23-33-29-19-12-13-21-37(29)42(39(33)25-35(31)40)27-16-8-4-9-17-27/h3-4,6-25H,5H2,1-2H3.

What are the key properties of 15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene?

15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene has a molecular weight of 538.69 g/mol, XLogP of 10.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene is sourced from PubChem (CID 146246041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).