bis(10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)-9,9-dimethylacridine);10-(3'-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl)phenothiazine;10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)phenothiazine

C226H144B4N8S2 — CID 162221941

About bis(10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)-9,9-dimethylacridine);10-(3'-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl)phenothiazine;10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)phenothiazine

bis(10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)-9,9-dimethylacridine);10-(3'-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl)phenothiazine;10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)phenothiazine (PubChem CID 162221941) has the molecular formula C226H144B4N8S2 and a molecular weight of 3079.08 g/mol. Its IUPAC name is bis(10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)-9,9-dimethylacridine);10-(3'-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl)phenothiazine;10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)phenothiazine.

Molecular Properties

• Compound Name: bis(10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)-9,9-dimethylacridine);10-(3'-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl)phenothiazine;10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)phenothiazine
• PubChem CID: 162221941
• Molecular Formula: C226H144B4N8S2
• Molecular Weight: 3079.08 g/mol
• Exact Mass: 3077.13
• IUPAC Name: bis(10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)-9,9-dimethylacridine);10-(3'-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl)phenothiazine;10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)phenothiazine
• SMILES: CC1(C)c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3B3c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4cccc2c43)c2ccccc21.CC1(C)c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3B3c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4cccc2c43)c2ccccc21.c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)-c1cccc3c1B2c1ccccc1C31c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)-c1ccccc1C21c2ccccc2B2c3cc(-n4c5ccccc5c5ccccc54)ccc3-c3cccc1c32
• InChI: InChI=1S/2C58H39BN2.2C55H33BN2S/c2*1-57(2)47-22-8-13-28-54(47)61(55-29-14-9-23-48(55)57)36-31-33-45-43(34-36)38-16-3-6-20-44(38)58(45)46-21-7-10-25-50(46)59-51-35-37(30-32-39(51)42-19-15-24-49(58)56(42)59)60-52-26-11-4-17-40(52)41-18-5-12-27-53(41)60;1-4-18-42-36(14-1)41-32-34(58-50-24-9-11-26-52(50)59-53-27-12-10-25-51(53)58)29-31-43(41)55(42)44-19-5-6-21-46(44)56-47-33-35(28-30-37(47)40-17-13-20-45(55)54(40)56)57-48-22-7-2-15-38(48)39-16-3-8-23-49(39)57;1-4-18-42-36(14-1)40-32-34(57-48-22-7-2-15-37(48)38-16-3-8-23-49(38)57)28-30-43(40)55(42)44-19-5-6-21-47(44)56-46-31-29-35(33-41(46)39-17-13-20-45(55)54(39)56)58-50-24-9-11-26-52(50)59-53-27-12-10-25-51(53)58/h2*3-35H,1-2H3;2*1-33H
• InChIKey: ZUFYMQSAGXPYMP-UHFFFAOYSA-N
• XLogP: 47.91
• TPSA: 32.68 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3079.08
LogP ≤ 5	47.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)-9,9-dimethylacridine);10-(3'-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl)phenothiazine;10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)phenothiazine?

The IUPAC name of bis(10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)-9,9-dimethylacridine);10-(3'-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl)phenothiazine;10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)phenothiazine (CID 162221941) is bis(10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)-9,9-dimethylacridine);10-(3'-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl)phenothiazine;10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)phenothiazine.

What is the SMILES notation for bis(10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)-9,9-dimethylacridine);10-(3'-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl)phenothiazine;10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)phenothiazine?

The canonical SMILES for bis(10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)-9,9-dimethylacridine);10-(3'-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl)phenothiazine;10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)phenothiazine is CC1(C)c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3B3c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4cccc2c43)c2ccccc21.CC1(C)c2ccccc2N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3B3c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4cccc2c43)c2ccccc21.c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)-c1cccc3c1B2c1ccccc1C31c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)-c1ccccc1C21c2ccccc2B2c3cc(-n4c5ccccc5c5ccccc54)ccc3-c3cccc1c32.

What is the InChIKey of bis(10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)-9,9-dimethylacridine);10-(3'-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl)phenothiazine;10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)phenothiazine?

The InChIKey is ZUFYMQSAGXPYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H39BN2.2C55H33BN2S/c2*1-57(2)47-22-8-13-28-54(47)61(55-29-14-9-23-48(55)57)36-31-33-45-43(34-36)38-16-3-6-20-44(38)58(45)46-21-7-10-25-50(46)59-51-35-37(30-32-39(51)42-19-15-24-49(58)56(42)59)60-52-26-11-4-17-40(52)41-18-5-12-27-53(41)60;1-4-18-42-36(14-1)41-32-34(58-50-24-9-11-26-52(50)59-53-27-12-10-25-51(53)58)29-31-43(41)55(42)44-19-5-6-21-46(44)56-47-33-35(28-30-37(47)40-17-13-20-45(55)54(40)56)57-48-22-7-2-15-38(48)39-16-3-8-23-49(39)57;1-4-18-42-36(14-1)40-32-34(57-48-22-7-2-15-37(48)38-16-3-8-23-49(38)57)28-30-43(40)55(42)44-19-5-6-21-47(44)56-46-31-29-35(33-41(46)39-17-13-20-45(55)54(39)56)58-50-24-9-11-26-52(50)59-53-27-12-10-25-51(53)58/h2*3-35H,1-2H3;2*1-33H.

What are the key properties of bis(10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)-9,9-dimethylacridine);10-(3'-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl)phenothiazine;10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)phenothiazine?

bis(10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)-9,9-dimethylacridine);10-(3'-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl)phenothiazine;10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)phenothiazine has a molecular weight of 3079.08 g/mol, XLogP of 47.91, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)-9,9-dimethylacridine);10-(3'-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-yl)phenothiazine;10-(4-carbazol-9-ylspiro[1-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-yl)phenothiazine is sourced from PubChem (CID 162221941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).