benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine

C210H190B4N4O2Si5 — CID 158425456

About benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine

benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine (PubChem CID 158425456) has the molecular formula C210H190B4N4O2Si5 and a molecular weight of 2985.53 g/mol. Its IUPAC name is benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine.

Molecular Properties

• Compound Name: benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine
• PubChem CID: 158425456
• Molecular Formula: C210H190B4N4O2Si5
• Molecular Weight: 2985.53 g/mol
• Exact Mass: 2983.41
• IUPAC Name: benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine
• SMILES: CC(C)c1cc(C(C)C)c(B2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc(N4c5ccccc5Oc5ccccc54)ccc32)c(C(C)C)c1.c1ccc([SiH]2c3ccccc3B3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4cc(N5c6ccccc6Oc6ccccc65)cc2c43)cc1.c1ccccc1
• InChI: InChI=1S/C54H54BNSi.C51H48BNOSi.C51H48BNSi.C48H34BNOSi2.C6H6/c1-36(2)39-33-43(37(3)4)53(44(34-39)38(5)6)55-47-27-17-20-30-51(47)57(41-21-11-9-12-22-41,42-23-13-10-14-24-42)52-35-40(31-32-48(52)55)56-49-28-18-15-25-45(49)54(7,8)46-26-16-19-29-50(46)56;1-34(2)37-31-41(35(3)4)51(42(32-37)36(5)6)52-43-23-13-18-28-49(43)55(39-19-9-7-10-20-39,40-21-11-8-12-22-40)50-33-38(29-30-44(50)52)53-45-24-14-16-26-47(45)54-48-27-17-15-25-46(48)53;1-34(2)37-31-43(35(3)4)51(44(32-37)36(5)6)52-45-25-15-18-28-49(45)54(39-19-9-7-10-20-39,40-21-11-8-12-22-40)50-33-38(29-30-46(50)52)53-47-26-16-13-23-41(47)42-24-14-17-27-48(42)53;1-4-18-35(19-5-1)52-44-30-16-10-24-38(44)49-39-25-11-17-31-46(39)53(36-20-6-2-7-21-36,37-22-8-3-9-23-37)47-33-34(32-45(52)48(47)49)50-40-26-12-14-28-42(40)51-43-29-15-13-27-41(43)50;1-2-4-6-5-3-1/h9-38H,1-8H3;7-36H,1-6H3;7-36H,1-6H3;1-33,52H;1-6H
• InChIKey: HAZMZZUHLBJYQG-UHFFFAOYSA-N
• XLogP: 32.29
• TPSA: 33.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 25
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2985.53
LogP ≤ 5	32.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine?

The IUPAC name of benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine (CID 158425456) is benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine.

What is the SMILES notation for benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine?

The canonical SMILES for benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine is CC(C)c1cc(C(C)C)c(B2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc(N4c5ccccc5Oc5ccccc54)ccc32)c(C(C)C)c1.c1ccc([SiH]2c3ccccc3B3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4cc(N5c6ccccc6Oc6ccccc65)cc2c43)cc1.c1ccccc1.

What is the InChIKey of benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine?

The InChIKey is HAZMZZUHLBJYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H54BNSi.C51H48BNOSi.C51H48BNSi.C48H34BNOSi2.C6H6/c1-36(2)39-33-43(37(3)4)53(44(34-39)38(5)6)55-47-27-17-20-30-51(47)57(41-21-11-9-12-22-41,42-23-13-10-14-24-42)52-35-40(31-32-48(52)55)56-49-28-18-15-25-45(49)54(7,8)46-26-16-19-29-50(46)56;1-34(2)37-31-41(35(3)4)51(42(32-37)36(5)6)52-43-23-13-18-28-49(43)55(39-19-9-7-10-20-39,40-21-11-8-12-22-40)50-33-38(29-30-44(50)52)53-45-24-14-16-26-47(45)54-48-27-17-15-25-46(48)53;1-34(2)37-31-43(35(3)4)51(44(32-37)36(5)6)52-45-25-15-18-28-49(45)54(39-19-9-7-10-20-39,40-21-11-8-12-22-40)50-33-38(29-30-46(50)52)53-47-26-16-13-23-41(47)42-24-14-17-27-48(42)53;1-4-18-35(19-5-1)52-44-30-16-10-24-38(44)49-39-25-11-17-31-46(39)53(36-20-6-2-7-21-36,37-22-8-3-9-23-37)47-33-34(32-45(52)48(47)49)50-40-26-12-14-28-42(40)51-43-29-15-13-27-41(43)50;1-2-4-6-5-3-1/h9-38H,1-8H3;7-36H,1-6H3;7-36H,1-6H3;1-33,52H;1-6H.

What are the key properties of benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine?

benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine has a molecular weight of 2985.53 g/mol, XLogP of 32.29, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;9-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]carbazole;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]-9,9-dimethylacridine;10-[5,5-diphenyl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzosilaborinin-3-yl]phenoxazine;10-(8,8,14-triphenyl-8,14-disila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenoxazine is sourced from PubChem (CID 158425456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).