6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

C80H51N7 — CID 168748033

About 6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (PubChem CID 168748033) has the molecular formula C80H51N7 and a molecular weight of 1110.34 g/mol. Its IUPAC name is 6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
• PubChem CID: 168748033
• Molecular Formula: C80H51N7
• Molecular Weight: 1110.34 g/mol
• Exact Mass: 1109.42
• IUPAC Name: 6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6c5ccc5c7ccc8c(c9ccccc9n8-c8ccccc8)c7n(-c7ccccc7)c56)c(-c5ccccc5)c4)nc(-c4ccccn4)n3)c2)cc1
• InChI: InChI=1S/C80H51N7/c1-7-25-52(26-8-1)56-47-57(53-27-9-2-10-28-53)49-58(48-56)78-82-79(84-80(83-78)68-39-23-24-46-81-68)59-50-66(54-29-11-3-12-30-54)75(67(51-59)55-31-13-4-14-32-55)87-70-41-22-20-38-65(70)74-72(87)45-43-63-62-42-44-71-73(76(62)86(77(63)74)61-35-17-6-18-36-61)64-37-19-21-40-69(64)85(71)60-33-15-5-16-34-60/h1-51H
• InChIKey: QMJAHVUIJPQAOW-UHFFFAOYSA-N
• XLogP: 20.23
• TPSA: 66.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1110.34
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The IUPAC name of 6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (CID 168748033) is 6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6c5ccc5c7ccc8c(c9ccccc9n8-c8ccccc8)c7n(-c7ccccc7)c56)c(-c5ccccc5)c4)nc(-c4ccccn4)n3)c2)cc1.

What is the InChIKey of 6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The InChIKey is QMJAHVUIJPQAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H51N7/c1-7-25-52(26-8-1)56-47-57(53-27-9-2-10-28-53)49-58(48-56)78-82-79(84-80(83-78)68-39-23-24-46-81-68)59-50-66(54-29-11-3-12-30-54)75(67(51-59)55-31-13-4-14-32-55)87-70-41-22-20-38-65(70)74-72(87)45-43-63-62-42-44-71-73(76(62)86(77(63)74)61-35-17-6-18-36-61)64-37-19-21-40-69(64)85(71)60-33-15-5-16-34-60/h1-51H.

What are the key properties of 6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene has a molecular weight of 1110.34 g/mol, XLogP of 20.23, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 168748033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).