beryllium;bis(benzo[h]quinolin-1-ium-10-olate);9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-thia-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

C126H81BeN7O2S2+2 — CID 162273486

About beryllium;bis(benzo[h]quinolin-1-ium-10-olate);9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-thia-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

beryllium;bis(benzo[h]quinolin-1-ium-10-olate);9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-thia-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (PubChem CID 162273486) has the molecular formula C126H81BeN7O2S2+2 and a molecular weight of 1798.23 g/mol. Its IUPAC name is beryllium;bis(benzo[h]quinolin-1-ium-10-olate);9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-thia-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: beryllium;bis(benzo[h]quinolin-1-ium-10-olate);9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-thia-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• PubChem CID: 162273486
• Molecular Formula: C126H81BeN7O2S2+2
• Molecular Weight: 1798.23 g/mol
• Exact Mass: 1796.60
• IUPAC Name: beryllium;bis(benzo[h]quinolin-1-ium-10-olate);9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-thia-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• SMILES: [Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12.c1ccc(-n2c3ccccc3c3ccc4cnc5ccccc5c4c32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)ccc1ccc3c4ccccc4sc3c12.c1cnc2c(c1)ccc1ccc3c4ccccc4sc3c12
• InChI: InChI=1S/C36H24N2.C25H16N2.C20H12S.C19H11NS.2C13H9NO.Be/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;1-2-8-18(9-3-1)27-23-13-7-5-10-19(23)20-15-14-17-16-26-22-12-6-4-11-21(22)24(17)25(20)27;1-2-6-15-13(5-1)9-10-14-11-12-17-16-7-3-4-8-18(16)21-20(17)19(14)15;1-2-6-16-14(5-1)15-10-9-12-7-8-13-4-3-11-20-18(13)17(12)19(15)21-16;2*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h1-24H;1-16H;1-12H;1-11H;2*1-8,15H;/q;;;;;;+2
• InChIKey: HMXMTTDMWIWMNS-UHFFFAOYSA-N
• XLogP: 31.53
• TPSA: 114.97 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1798.23
LogP ≤ 5	31.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of beryllium;bis(benzo[h]quinolin-1-ium-10-olate);9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-thia-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The IUPAC name of beryllium;bis(benzo[h]quinolin-1-ium-10-olate);9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-thia-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (CID 162273486) is beryllium;bis(benzo[h]quinolin-1-ium-10-olate);9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-thia-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

What is the SMILES notation for beryllium;bis(benzo[h]quinolin-1-ium-10-olate);9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-thia-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The canonical SMILES for beryllium;bis(benzo[h]quinolin-1-ium-10-olate);9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-thia-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is [Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.[O-]c1cccc2ccc3ccc[nH+]c3c12.c1ccc(-n2c3ccccc3c3ccc4cnc5ccccc5c4c32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc2c(c1)ccc1ccc3c4ccccc4sc3c12.c1cnc2c(c1)ccc1ccc3c4ccccc4sc3c12.

What is the InChIKey of beryllium;bis(benzo[h]quinolin-1-ium-10-olate);9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-thia-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The InChIKey is HMXMTTDMWIWMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2.C25H16N2.C20H12S.C19H11NS.2C13H9NO.Be/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;1-2-8-18(9-3-1)27-23-13-7-5-10-19(23)20-15-14-17-16-26-22-12-6-4-11-21(22)24(17)25(20)27;1-2-6-15-13(5-1)9-10-14-11-12-17-16-7-3-4-8-18(16)21-20(17)19(14)15;1-2-6-16-14(5-1)15-10-9-12-7-8-13-4-3-11-20-18(13)17(12)19(15)21-16;2*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h1-24H;1-16H;1-12H;1-11H;2*1-8,15H;/q;;;;;;+2.

What are the key properties of beryllium;bis(benzo[h]quinolin-1-ium-10-olate);9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-thia-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

beryllium;bis(benzo[h]quinolin-1-ium-10-olate);9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-thia-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene has a molecular weight of 1798.23 g/mol, XLogP of 31.53, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for beryllium;bis(benzo[h]quinolin-1-ium-10-olate);9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;3-thia-20-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene;3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 162273486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).