22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene

C53H42N6 — CID 177087060

About 22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene

22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene (PubChem CID 177087060) has the molecular formula C53H42N6 and a molecular weight of 762.96 g/mol. Its IUPAC name is 22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene.

Molecular Properties

• Compound Name: 22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
• PubChem CID: 177087060
• Molecular Formula: C53H42N6
• Molecular Weight: 762.96 g/mol
• Exact Mass: 762.35
• IUPAC Name: 22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
• SMILES: CC1(C)CCC(C)(C)c2cc3c(cc21)c1cc2c(cc1n3-c1ccccc1)c1ccccc1n2-c1nc(-c2ccccc2)nc(-n2c3ccccc3c3ccccc32)n1
• InChI: InChI=1S/C53H42N6/c1-52(2)27-28-53(3,4)42-32-48-38(29-41(42)52)40-31-47-39(30-46(40)57(48)34-19-9-6-10-20-34)37-23-13-16-26-45(37)59(47)51-55-49(33-17-7-5-8-18-33)54-50(56-51)58-43-24-14-11-21-35(43)36-22-12-15-25-44(36)58/h5-26,29-32H,27-28H2,1-4H3
• InChIKey: WWXNALRKCBJTLO-UHFFFAOYSA-N
• XLogP: 13.18
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.96
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene?

The IUPAC name of 22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene (CID 177087060) is 22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene.

What is the SMILES notation for 22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene?

The canonical SMILES for 22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene is CC1(C)CCC(C)(C)c2cc3c(cc21)c1cc2c(cc1n3-c1ccccc1)c1ccccc1n2-c1nc(-c2ccccc2)nc(-n2c3ccccc3c3ccccc32)n1.

What is the InChIKey of 22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene?

The InChIKey is WWXNALRKCBJTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N6/c1-52(2)27-28-53(3,4)42-32-48-38(29-41(42)52)40-31-47-39(30-46(40)57(48)34-19-9-6-10-20-34)37-23-13-16-26-45(37)59(47)51-55-49(33-17-7-5-8-18-33)54-50(56-51)58-43-24-14-11-21-35(43)36-22-12-15-25-44(36)58/h5-26,29-32H,27-28H2,1-4H3.

What are the key properties of 22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene?

22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene has a molecular weight of 762.96 g/mol, XLogP of 13.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene is sourced from PubChem (CID 177087060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).