18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene

C92H64B2N6OS — CID 164735592

About 18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene

18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene (PubChem CID 164735592) has the molecular formula C92H64B2N6OS and a molecular weight of 1323.26 g/mol. Its IUPAC name is 18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene.

Molecular Properties

• Compound Name: 18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene
• PubChem CID: 164735592
• Molecular Formula: C92H64B2N6OS
• Molecular Weight: 1323.26 g/mol
• Exact Mass: 1322.50
• IUPAC Name: 18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene
• SMILES: CC1(C)c2ccccc2N(c2cc3c4c(c2)N(c2ccccc2)c2cc5sc6cc7c(cc6c5cc2B4c2ccccc2N3c2ccccc2)B2c3oc4ccccc4c3N(c3ccccc3)c3cc(N4c5ccccc5C(C)(C)c5ccccc54)cc(c32)N7c2ccccc2)c2ccccc21
• InChI: InChI=1S/C92H64B2N6OS/c1-91(2)66-38-18-23-43-73(66)98(74-44-24-19-39-67(74)91)61-49-80-87-81(50-61)96(58-31-11-6-12-32-58)78-55-85-64(53-71(78)93(87)70-42-22-27-47-77(70)95(80)57-29-9-5-10-30-57)65-54-72-79(56-86(65)102-85)97(59-33-13-7-14-34-59)82-51-62(99-75-45-25-20-40-68(75)92(3,4)69-41-21-26-46-76(69)99)52-83-88(82)94(72)90-89(63-37-17-28-48-84(63)101-90)100(83)60-35-15-8-16-36-60/h5-56H,1-4H3
• InChIKey: ABVAZMWYASLGLP-UHFFFAOYSA-N
• XLogP: 21.18
• TPSA: 32.58 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1323.26
LogP ≤ 5	21.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene?

The IUPAC name of 18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene (CID 164735592) is 18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene.

What is the SMILES notation for 18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene?

The canonical SMILES for 18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene is CC1(C)c2ccccc2N(c2cc3c4c(c2)N(c2ccccc2)c2cc5sc6cc7c(cc6c5cc2B4c2ccccc2N3c2ccccc2)B2c3oc4ccccc4c3N(c3ccccc3)c3cc(N4c5ccccc5C(C)(C)c5ccccc54)cc(c32)N7c2ccccc2)c2ccccc21.

What is the InChIKey of 18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene?

The InChIKey is ABVAZMWYASLGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H64B2N6OS/c1-91(2)66-38-18-23-43-73(66)98(74-44-24-19-39-67(74)91)61-49-80-87-81(50-61)96(58-31-11-6-12-32-58)78-55-85-64(53-71(78)93(87)70-42-22-27-47-77(70)95(80)57-29-9-5-10-30-57)65-54-72-79(56-86(65)102-85)97(59-33-13-7-14-34-59)82-51-62(99-75-45-25-20-40-68(75)92(3,4)69-41-21-26-46-76(69)99)52-83-88(82)94(72)90-89(63-37-17-28-48-84(63)101-90)100(83)60-35-15-8-16-36-60/h5-56H,1-4H3.

What are the key properties of 18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene?

18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene has a molecular weight of 1323.26 g/mol, XLogP of 21.18, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 18,32-bis(9,9-dimethylacridin-10-yl)-15,21,29,35-tetraphenyl-43-oxa-25-thia-15,21,29,35-tetraza-1,8-diboradodecacyclo[28.14.1.18,16.02,28.04,26.05,24.07,22.09,14.034,45.036,44.037,42.020,46]hexatetraconta-2,4(26),5(24),6,9,11,13,16(46),17,19,22,27,30(45),31,33,36(44),37,39,41-nonadecaene is sourced from PubChem (CID 164735592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).