12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

C69H44N8 — CID 89303109

About 12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene (PubChem CID 89303109) has the molecular formula C69H44N8 and a molecular weight of 985.17 g/mol. Its IUPAC name is 12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene.

Molecular Properties

• Compound Name: 12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
• PubChem CID: 89303109
• Molecular Formula: C69H44N8
• Molecular Weight: 985.17 g/mol
• Exact Mass: 984.37
• IUPAC Name: 12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
• SMILES: C1=c2c(n(-c3ccccc3)c3ccccc23)=CC2c3ccccc3N(c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccc8c9ccccc9n(-c9ccccc9)c8c7n(-c7ccccc7)c6c54)n3)C12
• InChI: InChI=1S/C69H44N8/c1-5-21-43(22-6-1)67-70-68(76-59-35-19-16-32-50(59)56-41-61-55(42-62(56)76)49-31-15-17-33-57(49)73(61)44-23-7-2-8-24-44)72-69(71-67)77-60-36-20-14-30-48(60)52-38-40-54-53-39-37-51-47-29-13-18-34-58(47)74(45-25-9-3-10-26-45)63(51)64(53)75(65(54)66(52)77)46-27-11-4-12-28-46/h1-42,56,62H
• InChIKey: JUJSCKFDEFFZAX-UHFFFAOYSA-N
• XLogP: 14.65
• TPSA: 61.63 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.17
LogP ≤ 5	14.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?

The IUPAC name of 12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene (CID 89303109) is 12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene.

What is the SMILES notation for 12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?

The canonical SMILES for 12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene is C1=c2c(n(-c3ccccc3)c3ccccc23)=CC2c3ccccc3N(c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccc8c9ccccc9n(-c9ccccc9)c8c7n(-c7ccccc7)c6c54)n3)C12.

What is the InChIKey of 12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?

The InChIKey is JUJSCKFDEFFZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N8/c1-5-21-43(22-6-1)67-70-68(76-59-35-19-16-32-50(59)56-41-61-55(42-62(56)76)49-31-15-17-33-57(49)73(61)44-23-7-2-8-24-44)72-69(71-67)77-60-36-20-14-30-48(60)52-38-40-54-53-39-37-51-47-29-13-18-34-58(47)74(45-25-9-3-10-26-45)63(51)64(53)75(65(54)66(52)77)46-27-11-4-12-28-46/h1-42,56,62H.

What are the key properties of 12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?

12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene has a molecular weight of 985.17 g/mol, XLogP of 14.65, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 12,15-diphenyl-18-[4-phenyl-6-(5-phenyl-6a,11a-dihydroindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 89303109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).