11-(10-naphthalen-2-ylanthracen-9-yl)-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[3-(10-phenylanthracen-9-yl)phenyl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

C218H150B4S8 — CID 158500906

About 11-(10-naphthalen-2-ylanthracen-9-yl)-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[3-(10-phenylanthracen-9-yl)phenyl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

11-(10-naphthalen-2-ylanthracen-9-yl)-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[3-(10-phenylanthracen-9-yl)phenyl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (PubChem CID 158500906) has the molecular formula C218H150B4S8 and a molecular weight of 3069.38 g/mol. Its IUPAC name is 11-(10-naphthalen-2-ylanthracen-9-yl)-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[3-(10-phenylanthracen-9-yl)phenyl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 11-(10-naphthalen-2-ylanthracen-9-yl)-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[3-(10-phenylanthracen-9-yl)phenyl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
• PubChem CID: 158500906
• Molecular Formula: C218H150B4S8
• Molecular Weight: 3069.38 g/mol
• Exact Mass: 3066.99
• IUPAC Name: 11-(10-naphthalen-2-ylanthracen-9-yl)-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[3-(10-phenylanthracen-9-yl)phenyl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
• SMILES: CC(C)(c1ccccc1)c1ccc2c(c1)B1c3ccccc3Sc3cc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)cc(c31)S2.CC(C)(c1ccccc1)c1ccc2c(c1)B1c3ccccc3Sc3cc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)cc(c31)S2.CC(C)(c1ccccc1)c1ccc2c(c1)B1c3ccccc3Sc3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc(c31)S2.CC(C)(c1ccccc1)c1ccc2c(c1)B1c3ccccc3Sc3cc(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)cc(c31)S2
• InChI: InChI=1S/2C57H39BS2.C53H37BS2.C51H35BS2/c1-57(2,38-19-7-4-8-20-38)39-29-32-51-49(35-39)58-48-27-15-16-28-50(48)59-52-33-37(34-53(60-51)56(52)58)54-43-23-11-13-25-45(43)55(46-26-14-12-24-44(46)54)47-31-30-40(36-17-5-3-6-18-36)41-21-9-10-22-42(41)47;1-57(2,40-17-4-3-5-18-40)41-31-32-51-49(35-41)58-48-25-12-13-26-50(48)59-52-33-39(34-53(60-51)56(52)58)55-46-22-10-8-20-44(46)54(45-21-9-11-23-47(45)55)38-29-27-37(28-30-38)43-24-14-16-36-15-6-7-19-42(36)43;1-53(2,38-20-7-4-8-21-38)39-28-29-47-45(33-39)54-44-26-13-14-27-46(44)55-48-31-37(32-49(56-47)52(48)54)35-18-15-19-36(30-35)51-42-24-11-9-22-40(42)50(34-16-5-3-6-17-34)41-23-10-12-25-43(41)51;1-51(2,36-16-4-3-5-17-36)37-26-27-45-43(31-37)52-42-22-12-13-23-44(42)53-46-29-35(30-47(54-45)50(46)52)49-40-20-10-8-18-38(40)48(39-19-9-11-21-41(39)49)34-25-24-32-14-6-7-15-33(32)28-34/h2*3-35H,1-2H3;3-33H,1-2H3;3-31H,1-2H3
• InChIKey: HJWMKAZTDKOADY-UHFFFAOYSA-N
• XLogP: 52.85
• TPSA: 0.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3069.38
LogP ≤ 5	52.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-(10-naphthalen-2-ylanthracen-9-yl)-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[3-(10-phenylanthracen-9-yl)phenyl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 11-(10-naphthalen-2-ylanthracen-9-yl)-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[3-(10-phenylanthracen-9-yl)phenyl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (CID 158500906) is 11-(10-naphthalen-2-ylanthracen-9-yl)-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[3-(10-phenylanthracen-9-yl)phenyl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 11-(10-naphthalen-2-ylanthracen-9-yl)-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[3-(10-phenylanthracen-9-yl)phenyl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 11-(10-naphthalen-2-ylanthracen-9-yl)-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[3-(10-phenylanthracen-9-yl)phenyl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is CC(C)(c1ccccc1)c1ccc2c(c1)B1c3ccccc3Sc3cc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)cc(c31)S2.CC(C)(c1ccccc1)c1ccc2c(c1)B1c3ccccc3Sc3cc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)cc(c31)S2.CC(C)(c1ccccc1)c1ccc2c(c1)B1c3ccccc3Sc3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc(c31)S2.CC(C)(c1ccccc1)c1ccc2c(c1)B1c3ccccc3Sc3cc(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)cc(c31)S2.

What is the InChIKey of 11-(10-naphthalen-2-ylanthracen-9-yl)-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[3-(10-phenylanthracen-9-yl)phenyl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

The InChIKey is HJWMKAZTDKOADY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H39BS2.C53H37BS2.C51H35BS2/c1-57(2,38-19-7-4-8-20-38)39-29-32-51-49(35-39)58-48-27-15-16-28-50(48)59-52-33-37(34-53(60-51)56(52)58)54-43-23-11-13-25-45(43)55(46-26-14-12-24-44(46)54)47-31-30-40(36-17-5-3-6-18-36)41-21-9-10-22-42(41)47;1-57(2,40-17-4-3-5-18-40)41-31-32-51-49(35-41)58-48-25-12-13-26-50(48)59-52-33-39(34-53(60-51)56(52)58)55-46-22-10-8-20-44(46)54(45-21-9-11-23-47(45)55)38-29-27-37(28-30-38)43-24-14-16-36-15-6-7-19-42(36)43;1-53(2,38-20-7-4-8-21-38)39-28-29-47-45(33-39)54-44-26-13-14-27-46(44)55-48-31-37(32-49(56-47)52(48)54)35-18-15-19-36(30-35)51-42-24-11-9-22-40(42)50(34-16-5-3-6-17-34)41-23-10-12-25-43(41)51;1-51(2,36-16-4-3-5-17-36)37-26-27-45-43(31-37)52-42-22-12-13-23-44(42)53-46-29-35(30-47(54-45)50(46)52)49-40-20-10-8-18-38(40)48(39-19-9-11-21-41(39)49)34-25-24-32-14-6-7-15-33(32)28-34/h2*3-35H,1-2H3;3-33H,1-2H3;3-31H,1-2H3.

What are the key properties of 11-(10-naphthalen-2-ylanthracen-9-yl)-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[3-(10-phenylanthracen-9-yl)phenyl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?

11-(10-naphthalen-2-ylanthracen-9-yl)-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[3-(10-phenylanthracen-9-yl)phenyl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene has a molecular weight of 3069.38 g/mol, XLogP of 52.85, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(10-naphthalen-2-ylanthracen-9-yl)-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[3-(10-phenylanthracen-9-yl)phenyl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-4-(2-phenylpropan-2-yl)-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 158500906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).