6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene

C59H37ClN4 — CID 169058230

About 6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene

6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene (PubChem CID 169058230) has the molecular formula C59H37ClN4 and a molecular weight of 837.43 g/mol. Its IUPAC name is 6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
• PubChem CID: 169058230
• Molecular Formula: C59H37ClN4
• Molecular Weight: 837.43 g/mol
• Exact Mass: 836.27
• IUPAC Name: 6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
• SMILES: CC1(c2cccc(-c3ccccc3)c2)c2ccc(-c3cccc(-c4nc(Cl)nc(-c5cccc(-c6ccccc6)c5)n4)c3)c3c2-c2c1ccc1c4ccccc4n(c21)-c1ccccc1-3
• InChI: InChI=1S/C59H37ClN4/c1-59(43-24-14-20-39(35-43)37-17-6-3-7-18-37)48-31-29-44(52-47-26-9-11-28-51(47)64-50-27-10-8-25-45(50)46-30-32-49(59)54(53(48)52)55(46)64)40-21-13-23-42(34-40)57-61-56(62-58(60)63-57)41-22-12-19-38(33-41)36-15-4-2-5-16-36/h2-35H,1H3
• InChIKey: GAXFTCONKLWHHF-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.43
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?

The IUPAC name of 6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene (CID 169058230) is 6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene.

What is the SMILES notation for 6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?

The canonical SMILES for 6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene is CC1(c2cccc(-c3ccccc3)c2)c2ccc(-c3cccc(-c4nc(Cl)nc(-c5cccc(-c6ccccc6)c5)n4)c3)c3c2-c2c1ccc1c4ccccc4n(c21)-c1ccccc1-3.

What is the InChIKey of 6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?

The InChIKey is GAXFTCONKLWHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37ClN4/c1-59(43-24-14-20-39(35-43)37-17-6-3-7-18-37)48-31-29-44(52-47-26-9-11-28-51(47)64-50-27-10-8-25-45(50)46-30-32-49(59)54(53(48)52)55(46)64)40-21-13-23-42(34-40)57-61-56(62-58(60)63-57)41-22-12-19-38(33-41)36-15-4-2-5-16-36/h2-35H,1H3.

What are the key properties of 6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?

6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 837.43 g/mol, XLogP of 15.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 169058230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).