11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene

C57H34N6O2 — CID 134560001

About 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene (PubChem CID 134560001) has the molecular formula C57H34N6O2 and a molecular weight of 834.94 g/mol. Its IUPAC name is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene.

Molecular Properties

• Compound Name: 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
• PubChem CID: 134560001
• Molecular Formula: C57H34N6O2
• Molecular Weight: 834.94 g/mol
• Exact Mass: 834.27
• IUPAC Name: 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc5c(cc43)Oc3cccc4c3N5c3ccccc3O4)n2)cc1
• InChI: InChI=1S/C57H34N6O2/c1-4-15-35(16-5-1)55-58-56(36-17-6-2-7-18-36)60-57(59-55)63-46-30-28-38(37-27-29-45-41(31-37)40-21-10-11-22-44(40)61(45)39-19-8-3-9-20-39)32-42(46)43-33-49-53(34-48(43)63)65-52-26-14-25-51-54(52)62(49)47-23-12-13-24-50(47)64-51/h1-34H
• InChIKey: KXDSGXHMVPSKTH-UHFFFAOYSA-N
• XLogP: 14.75
• TPSA: 70.23 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.94
LogP ≤ 5	14.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene?

The IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene (CID 134560001) is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene.

What is the SMILES notation for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene?

The canonical SMILES for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc5c(cc43)Oc3cccc4c3N5c3ccccc3O4)n2)cc1.

What is the InChIKey of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene?

The InChIKey is KXDSGXHMVPSKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N6O2/c1-4-15-35(16-5-1)55-58-56(36-17-6-2-7-18-36)60-57(59-55)63-46-30-28-38(37-27-29-45-41(31-37)40-21-10-11-22-44(40)61(45)39-19-8-3-9-20-39)32-42(46)43-33-49-53(34-48(43)63)65-52-26-14-25-51-54(52)62(49)47-23-12-13-24-50(47)64-51/h1-34H.

What are the key properties of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene?

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene has a molecular weight of 834.94 g/mol, XLogP of 14.75, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene is sourced from PubChem (CID 134560001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).