4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene

C101H62N6 — CID 159875577

About 4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene

4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene (PubChem CID 159875577) has the molecular formula C101H62N6 and a molecular weight of 1359.65 g/mol. Its IUPAC name is 4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene.

Molecular Properties

• Compound Name: 4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene
• PubChem CID: 159875577
• Molecular Formula: C101H62N6
• Molecular Weight: 1359.65 g/mol
• Exact Mass: 1358.50
• IUPAC Name: 4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4cc5ccccc5cc4-6)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4cc5ccccc5cc4-6)cc3)cc2)cc1
• InChI: InChI=1S/C51H30N4.C50H32N2/c1-2-11-33(12-3-1)49-52-50(54-51(53-49)38-21-20-31-10-4-5-13-35(31)28-38)34-22-25-39(26-23-34)55-44-19-9-18-41-43-30-37-15-7-6-14-36(37)29-42(43)40-17-8-16-32-24-27-45(55)48(46(32)40)47(41)44;1-3-14-38(15-4-1)51(39-16-5-2-6-17-39)40-26-21-33(22-27-40)34-23-28-41(29-24-34)52-46-20-10-19-43-45-32-37-12-8-7-11-36(37)31-44(45)42-18-9-13-35-25-30-47(52)50(48(35)42)49(43)46/h1-30H;1-32H
• InChIKey: NSWBGIMYCAIFND-UHFFFAOYSA-N
• XLogP: 26.95
• TPSA: 51.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1359.65
LogP ≤ 5	26.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene?

The IUPAC name of 4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene (CID 159875577) is 4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene.

What is the SMILES notation for 4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene?

The canonical SMILES for 4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene is c1ccc(-c2nc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4cc5ccccc5cc4-6)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4cc5ccccc5cc4-6)cc3)cc2)cc1.

What is the InChIKey of 4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene?

The InChIKey is NSWBGIMYCAIFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4.C50H32N2/c1-2-11-33(12-3-1)49-52-50(54-51(53-49)38-21-20-31-10-4-5-13-35(31)28-38)34-22-25-39(26-23-34)55-44-19-9-18-41-43-30-37-15-7-6-14-36(37)29-42(43)40-17-8-16-32-24-27-45(55)48(46(32)40)47(41)44;1-3-14-38(15-4-1)51(39-16-5-2-6-17-39)40-26-21-33(22-27-40)34-23-28-41(29-24-34)52-46-20-10-19-43-45-32-37-12-8-7-11-36(37)31-44(45)42-18-9-13-35-25-30-47(52)50(48(35)42)49(43)46/h1-30H;1-32H.

What are the key properties of 4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene?

4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene has a molecular weight of 1359.65 g/mol, XLogP of 26.95, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaen-27-yl)phenyl]-N,N-diphenylaniline;27-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,7.08,17.010,15.022,26]heptacosa-1(25),2(7),3,5,8,10,12,14,16,18,20,22(26),23-tridecaene is sourced from PubChem (CID 159875577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).