23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene

C54H45N5 — CID 126598687

About 23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene

23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene (PubChem CID 126598687) has the molecular formula C54H45N5 and a molecular weight of 763.99 g/mol. Its IUPAC name is 23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene.

Molecular Properties

• Compound Name: 23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene
• PubChem CID: 126598687
• Molecular Formula: C54H45N5
• Molecular Weight: 763.99 g/mol
• Exact Mass: 763.37
• IUPAC Name: 23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene
• SMILES: CC1(C)c2cc3c4ccc5c6ccccc6n(-c6ccccc6)c5c4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3cc2C(C)(C)C1(C)C
• InChI: InChI=1S/C54H45N5/c1-52(2)43-32-42-41-31-30-40-39-24-16-17-25-45(39)58(37-22-14-9-15-23-37)47(40)48(41)59(46(42)33-44(43)53(3,4)54(52,5)6)38-28-26-36(27-29-38)51-56-49(34-18-10-7-11-19-34)55-50(57-51)35-20-12-8-13-21-35/h7-33H,1-6H3
• InChIKey: NLBUXTMOTYAGBY-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.99
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene?

The IUPAC name of 23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene (CID 126598687) is 23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene.

What is the SMILES notation for 23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene?

The canonical SMILES for 23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene is CC1(C)c2cc3c4ccc5c6ccccc6n(-c6ccccc6)c5c4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3cc2C(C)(C)C1(C)C.

What is the InChIKey of 23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene?

The InChIKey is NLBUXTMOTYAGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N5/c1-52(2)43-32-42-41-31-30-40-39-24-16-17-25-45(39)58(37-22-14-9-15-23-37)47(40)48(41)59(46(42)33-44(43)53(3,4)54(52,5)6)38-28-26-36(27-29-38)51-56-49(34-18-10-7-11-19-34)55-50(57-51)35-20-12-8-13-21-35/h7-33H,1-6H3.

What are the key properties of 23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene?

23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene has a molecular weight of 763.99 g/mol, XLogP of 13.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene is sourced from PubChem (CID 126598687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).