9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

C66H43N5 — CID 121444153

About 9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 121444153) has the molecular formula C66H43N5 and a molecular weight of 906.11 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 121444153
• Molecular Formula: C66H43N5
• Molecular Weight: 906.11 g/mol
• Exact Mass: 905.35
• IUPAC Name: 9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)n5)ccc4c3cc21
• InChI: InChI=1S/C66H43N5/c1-66(2)57-27-13-8-22-48(57)56-38-54-46-21-7-6-20-45(46)53-36-41(32-33-47(53)55(54)39-58(56)66)64-67-63(40-18-4-3-5-19-40)68-65(69-64)42-34-43(70-59-28-14-9-23-49(59)50-24-10-15-29-60(50)70)37-44(35-42)71-61-30-16-11-25-51(61)52-26-12-17-31-62(52)71/h3-39H,1-2H3
• InChIKey: AOEBCEMBONJVEB-UHFFFAOYSA-N
• XLogP: 16.83
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.11
LogP ≤ 5	16.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 121444153) is 9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)n5)ccc4c3cc21.

What is the InChIKey of 9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The InChIKey is AOEBCEMBONJVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N5/c1-66(2)57-27-13-8-22-48(57)56-38-54-46-21-7-6-20-45(46)53-36-41(32-33-47(53)55(54)39-58(56)66)64-67-63(40-18-4-3-5-19-40)68-65(69-64)42-34-43(70-59-28-14-9-23-49(59)50-24-10-15-29-60(50)70)37-44(35-42)71-61-30-16-11-25-51(61)52-26-12-17-31-62(52)71/h3-39H,1-2H3.

What are the key properties of 9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 906.11 g/mol, XLogP of 16.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-carbazol-9-yl-5-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 121444153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).