24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene

C64H39N7 — CID 163885630

About 24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene

24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene (PubChem CID 163885630) has the molecular formula C64H39N7 and a molecular weight of 906.07 g/mol. Its IUPAC name is 24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene.

Molecular Properties

• Compound Name: 24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene
• PubChem CID: 163885630
• Molecular Formula: C64H39N7
• Molecular Weight: 906.07 g/mol
• Exact Mass: 905.33
• IUPAC Name: 24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6cccc7c8cc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)ccc8n(c67)c6nc7ccccc7n6c5c4)c3)n2)cc1
• InChI: InChI=1S/C64H39N7/c1-3-15-41(16-4-1)61-66-62(42-17-5-2-6-18-42)68-63(67-61)46-20-13-19-43(37-46)45-31-35-50-51-23-14-24-52-53-38-44(32-36-57(53)71(60(51)52)64-65-54-25-9-12-28-58(54)70(64)59(50)39-45)40-29-33-47(34-30-40)69-55-26-10-7-21-48(55)49-22-8-11-27-56(49)69/h1-39H
• InChIKey: PXBMLBQSSSBILE-UHFFFAOYSA-N
• XLogP: 15.82
• TPSA: 65.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.07
LogP ≤ 5	15.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene?

The IUPAC name of 24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene (CID 163885630) is 24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene.

What is the SMILES notation for 24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene?

The canonical SMILES for 24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6cccc7c8cc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)ccc8n(c67)c6nc7ccccc7n6c5c4)c3)n2)cc1.

What is the InChIKey of 24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene?

The InChIKey is PXBMLBQSSSBILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N7/c1-3-15-41(16-4-1)61-66-62(42-17-5-2-6-18-42)68-63(67-61)46-20-13-19-43(37-46)45-31-35-50-51-23-14-24-52-53-38-44(32-36-57(53)71(60(51)52)64-65-54-25-9-12-28-58(54)70(64)59(50)39-45)40-29-33-47(34-30-40)69-55-26-10-7-21-48(55)49-22-8-11-27-56(49)69/h1-39H.

What are the key properties of 24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene?

24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene has a molecular weight of 906.07 g/mol, XLogP of 15.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene is sourced from PubChem (CID 163885630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).