26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

C76H46N4 — CID 169058056

About 26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (PubChem CID 169058056) has the molecular formula C76H46N4 and a molecular weight of 1015.23 g/mol. Its IUPAC name is 26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
• PubChem CID: 169058056
• Molecular Formula: C76H46N4
• Molecular Weight: 1015.23 g/mol
• Exact Mass: 1014.37
• IUPAC Name: 26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
• SMILES: c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc6c5-n5c7ccccc7c7ccc8c(c75)-c5c-6cccc5C8(c5ccc6ccccc6c5)c5cccc6ccccc56)c4)nc(-c4ccc5ccccc5c4)n3)c2)cc1
• InChI: InChI=1S/C76H46N4/c1-2-17-47(18-3-1)52-25-12-27-55(43-52)73-77-74(79-75(78-73)57-38-37-48-19-4-6-22-51(48)44-57)56-28-13-26-54(45-56)60-31-15-33-63-62-32-16-35-66-69(62)70-67(42-41-64-61-30-10-11-36-68(61)80(71(60)63)72(64)70)76(66,58-40-39-49-20-5-7-23-53(49)46-58)65-34-14-24-50-21-8-9-29-59(50)65/h1-46H
• InChIKey: PHCPGCDYZBLULK-UHFFFAOYSA-N
• XLogP: 19.11
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.23
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

The IUPAC name of 26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (CID 169058056) is 26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.

What is the SMILES notation for 26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

The canonical SMILES for 26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc6c5-n5c7ccccc7c7ccc8c(c75)-c5c-6cccc5C8(c5ccc6ccccc6c5)c5cccc6ccccc56)c4)nc(-c4ccc5ccccc5c4)n3)c2)cc1.

What is the InChIKey of 26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

The InChIKey is PHCPGCDYZBLULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46N4/c1-2-17-47(18-3-1)52-25-12-27-55(43-52)73-77-74(79-75(78-73)57-38-37-48-19-4-6-22-51(48)44-57)56-28-13-26-54(45-56)60-31-15-33-63-62-32-16-35-66-69(62)70-67(42-41-64-61-30-10-11-36-68(61)80(71(60)63)72(64)70)76(66,58-40-39-49-20-5-7-23-53(49)46-58)65-34-14-24-50-21-8-9-29-59(50)65/h1-46H.

What are the key properties of 26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 1015.23 g/mol, XLogP of 19.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 169058056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).