26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-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

C64H41N5 — CID 169058223

About 26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-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

26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-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 169058223) has the molecular formula C64H41N5 and a molecular weight of 880.07 g/mol. Its IUPAC name is 26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-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: 26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-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: 169058223
• Molecular Formula: C64H41N5
• Molecular Weight: 880.07 g/mol
• Exact Mass: 879.34
• IUPAC Name: 26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-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: CC1(C)c2ccc3c4ccccc4n4c3c2-c2c(ccc(-c3cccc(-c5nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc(-c6cccc7ccccc67)n5)c3)c21)-c1ccccc1-4
• InChI: InChI=1S/C64H41N5/c1-64(2)52-34-33-49-46-24-9-13-29-55(46)69-54-28-12-8-23-45(54)48-32-31-44(59(64)57(48)58(52)60(49)69)39-18-14-19-40(36-39)61-65-62(67-63(66-61)50-26-15-17-38-16-6-7-22-43(38)50)41-30-35-56-51(37-41)47-25-10-11-27-53(47)68(56)42-20-4-3-5-21-42/h3-37H,1-2H3
• InChIKey: ZTZFWSPQXMCZNA-UHFFFAOYSA-N
• XLogP: 16.17
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.07
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-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 26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-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 169058223) is 26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-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 26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-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 26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-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 CC1(C)c2ccc3c4ccccc4n4c3c2-c2c(ccc(-c3cccc(-c5nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc(-c6cccc7ccccc67)n5)c3)c21)-c1ccccc1-4.

What is the InChIKey of 26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-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 ZTZFWSPQXMCZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N5/c1-64(2)52-34-33-49-46-24-9-13-29-55(46)69-54-28-12-8-23-45(54)48-32-31-44(59(64)57(48)58(52)60(49)69)39-18-14-19-40(36-39)61-65-62(67-63(66-61)50-26-15-17-38-16-6-7-22-43(38)50)41-30-35-56-51(37-41)47-25-10-11-27-53(47)68(56)42-20-4-3-5-21-42/h3-37H,1-2H3.

What are the key properties of 26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-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?

26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-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 880.07 g/mol, XLogP of 16.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-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 169058223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).