bis(9-(3-bromo-5-carbazol-9-ylphenyl)carbazole);carbanide;14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];9H-fluorene;methane;14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1,3,5-tribromobenzene

C194H136BBr5N8O2-2 — CID 158192091

About bis(9-(3-bromo-5-carbazol-9-ylphenyl)carbazole);carbanide;14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];9H-fluorene;methane;14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1,3,5-tribromobenzene

bis(9-(3-bromo-5-carbazol-9-ylphenyl)carbazole);carbanide;14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];9H-fluorene;methane;14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1,3,5-tribromobenzene (PubChem CID 158192091) has the molecular formula C194H136BBr5N8O2-2 and a molecular weight of 3021.61 g/mol. Its IUPAC name is bis(9-(3-bromo-5-carbazol-9-ylphenyl)carbazole);carbanide;14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];9H-fluorene;methane;14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1,3,5-tribromobenzene.

Molecular Properties

• Compound Name: bis(9-(3-bromo-5-carbazol-9-ylphenyl)carbazole);carbanide;14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];9H-fluorene;methane;14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1,3,5-tribromobenzene
• PubChem CID: 158192091
• Molecular Formula: C194H136BBr5N8O2-2
• Molecular Weight: 3021.61 g/mol
• Exact Mass: 3014.68
• IUPAC Name: bis(9-(3-bromo-5-carbazol-9-ylphenyl)carbazole);carbanide;14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];9H-fluorene;methane;14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1,3,5-tribromobenzene
• SMILES: Brc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.Brc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.Brc1cc(Br)cc(Br)c1.C.CC1(C)OB(c2ccc(-c3nc4ccccc4c4c5c(ccc34)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc2)OC1(C)C.[CH3-].[CH3-].c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3)nc3ccccc3c21.c1ccc2c(c1)Cc1ccccc1-2
• InChI: InChI=1S/C68H41N3.C44H34BNO2.2C30H19BrN2.C13H10.C6H3Br3.CH4.2CH3/c1-9-25-56-47(17-1)48-18-2-10-26-57(48)68(56)58-27-11-3-23-53(58)66-59(68)38-37-55-65(66)54-24-4-12-28-60(54)69-67(55)43-35-33-42(34-36-43)44-39-45(70-61-29-13-5-19-49(61)50-20-6-14-30-62(50)70)41-46(40-44)71-63-31-15-7-21-51(63)52-22-8-16-32-64(52)71;1-42(2)43(3,4)48-45(47-42)28-23-21-27(22-24-28)41-33-25-26-37-40(39(33)32-16-8-12-20-38(32)46-41)31-15-7-11-19-36(31)44(37)34-17-9-5-13-29(34)30-14-6-10-18-35(30)44;2*31-20-17-21(32-27-13-5-1-9-23(27)24-10-2-6-14-28(24)32)19-22(18-20)33-29-15-7-3-11-25(29)26-12-4-8-16-30(26)33;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;7-4-1-5(8)3-6(9)2-4;;;/h1-41H;5-26H,1-4H3;2*1-19H;1-8H,9H2;1-3H;1H4;2*1H3/q;;;;;;;2*-1
• InChIKey: FZWPLUMJIZPKNB-UHFFFAOYSA-N
• XLogP: 53.01
• TPSA: 73.82 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3021.61
LogP ≤ 5	53.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(9-(3-bromo-5-carbazol-9-ylphenyl)carbazole);carbanide;14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];9H-fluorene;methane;14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1,3,5-tribromobenzene?

The IUPAC name of bis(9-(3-bromo-5-carbazol-9-ylphenyl)carbazole);carbanide;14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];9H-fluorene;methane;14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1,3,5-tribromobenzene (CID 158192091) is bis(9-(3-bromo-5-carbazol-9-ylphenyl)carbazole);carbanide;14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];9H-fluorene;methane;14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1,3,5-tribromobenzene.

What is the SMILES notation for bis(9-(3-bromo-5-carbazol-9-ylphenyl)carbazole);carbanide;14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];9H-fluorene;methane;14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1,3,5-tribromobenzene?

The canonical SMILES for bis(9-(3-bromo-5-carbazol-9-ylphenyl)carbazole);carbanide;14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];9H-fluorene;methane;14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1,3,5-tribromobenzene is Brc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.Brc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.Brc1cc(Br)cc(Br)c1.C.CC1(C)OB(c2ccc(-c3nc4ccccc4c4c5c(ccc34)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc2)OC1(C)C.[CH3-].[CH3-].c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3)nc3ccccc3c21.c1ccc2c(c1)Cc1ccccc1-2.

What is the InChIKey of bis(9-(3-bromo-5-carbazol-9-ylphenyl)carbazole);carbanide;14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];9H-fluorene;methane;14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1,3,5-tribromobenzene?

The InChIKey is FZWPLUMJIZPKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41N3.C44H34BNO2.2C30H19BrN2.C13H10.C6H3Br3.CH4.2CH3/c1-9-25-56-47(17-1)48-18-2-10-26-57(48)68(56)58-27-11-3-23-53(58)66-59(68)38-37-55-65(66)54-24-4-12-28-60(54)69-67(55)43-35-33-42(34-36-43)44-39-45(70-61-29-13-5-19-49(61)50-20-6-14-30-62(50)70)41-46(40-44)71-63-31-15-7-21-51(63)52-22-8-16-32-64(52)71;1-42(2)43(3,4)48-45(47-42)28-23-21-27(22-24-28)41-33-25-26-37-40(39(33)32-16-8-12-20-38(32)46-41)31-15-7-11-19-36(31)44(37)34-17-9-5-13-29(34)30-14-6-10-18-35(30)44;2*31-20-17-21(32-27-13-5-1-9-23(27)24-10-2-6-14-28(24)32)19-22(18-20)33-29-15-7-3-11-25(29)26-12-4-8-16-30(26)33;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;7-4-1-5(8)3-6(9)2-4;;;/h1-41H;5-26H,1-4H3;2*1-19H;1-8H,9H2;1-3H;1H4;2*1H3/q;;;;;;;2*-1.

What are the key properties of bis(9-(3-bromo-5-carbazol-9-ylphenyl)carbazole);carbanide;14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];9H-fluorene;methane;14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1,3,5-tribromobenzene?

bis(9-(3-bromo-5-carbazol-9-ylphenyl)carbazole);carbanide;14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];9H-fluorene;methane;14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1,3,5-tribromobenzene has a molecular weight of 3021.61 g/mol, XLogP of 53.01, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(9-(3-bromo-5-carbazol-9-ylphenyl)carbazole);carbanide;14-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];9H-fluorene;methane;14-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];1,3,5-tribromobenzene is sourced from PubChem (CID 158192091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).