9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole

C165H204B2Br4N2O4 — CID 157207303

IUPAC9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole
SMILESBrc1c2ccccc2c(Br)c2ccccc12.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc7c8ccc(C)cc8n(CCCCCC)c7c6)ccc4-5)c4ccccc34)cc21.CCCCCCn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C92H113N.C41H64B2O4.C18H19Br2N.C14H8Br2/c1-8-13-18-23-27-35-56-91(57-36-28-24-19-14-9-2)83-61-67(6)44-50-73(83)75-53-48-71(64-85(75)91)89-79-40-31-33-42-81(79)90(82-43-34-32-41-80(82)89)72-49-54-76-74-52-46-69(70-47-55-78-77-51-45-68(7)62-87(77)93(88(78)66-70)60-39-22-17-12-5)63-84(74)92(86(76)65-72,58-37-29-25-20-15-10-3)59-38-30-26-21-16-11-4;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-2-3-4-5-10-21-17-11-13(19)6-8-15(17)16-9-7-14(20)12-18(16)21;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h31-34,40-55,61-66H,8-30,35-39,56-60H2,1-7H3;23-26,29-30H,11-22,27-28H2,1-10H3;6-9,11-12H,2-5,10H2,1H3;1-8H
InChIKeyARMRLCRAZAJJOV-UHFFFAOYSA-N
MW2620.70 g/mol
LogP51.30
Rot. Bonds57

About 9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole

9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole (PubChem CID 157207303) has the molecular formula C165H204B2Br4N2O4 and a molecular weight of 2620.70 g/mol. Its IUPAC name is 9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole.

Molecular Properties

Compound Name9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole
PubChem CID157207303
Molecular FormulaC165H204B2Br4N2O4
Molecular Weight2620.70 g/mol
Exact Mass2615.27
IUPAC Name9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole
SMILESBrc1c2ccccc2c(Br)c2ccccc12.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc7c8ccc(C)cc8n(CCCCCC)c7c6)ccc4-5)c4ccccc34)cc21.CCCCCCn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C92H113N.C41H64B2O4.C18H19Br2N.C14H8Br2/c1-8-13-18-23-27-35-56-91(57-36-28-24-19-14-9-2)83-61-67(6)44-50-73(83)75-53-48-71(64-85(75)91)89-79-40-31-33-42-81(79)90(82-43-34-32-41-80(82)89)72-49-54-76-74-52-46-69(70-47-55-78-77-51-45-68(7)62-87(77)93(88(78)66-70)60-39-22-17-12-5)63-84(74)92(86(76)65-72,58-37-29-25-20-15-10-3)59-38-30-26-21-16-11-4;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-2-3-4-5-10-21-17-11-13(19)6-8-15(17)16-9-7-14(20)12-18(16)21;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h31-34,40-55,61-66H,8-30,35-39,56-60H2,1-7H3;23-26,29-30H,11-22,27-28H2,1-10H3;6-9,11-12H,2-5,10H2,1H3;1-8H
InChIKeyARMRLCRAZAJJOV-UHFFFAOYSA-N
XLogP51.30
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds57
Heavy Atoms177
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002620.70
LogP ≤ 551.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole with MolForge

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Related Compounds

7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline
CID 163599667
9-[6-[3,10-Dibromo-15-(6-carbazol-9-ylhexyl)-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]hexyl]carbazole
CID 101566577
12,12'-Bis[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole]
CID 118343936
4-bromo-11'-[(3Z,5E)-5-carbazol-9-ylhepta-3,5-dien-2-yl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 139480236
10-Bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole
CID 142373855
2-[2',7'-Dibromo-7-(9-ethylcarbazol-2-yl)-9,9'-spirobi[fluorene]-2-yl]-9-ethylcarbazole
CID 155664918
5-Bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
CID 157069896
1-Bromo-2-iodobenzene;18-(2-bromophenyl)-21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;21-(9,9-diphenylfluoren-3-yl)-18-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 157112927
20-(10-Bromoanthracen-9-yl)-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;2-[10-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)anthracen-9-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;7,7-dimethyl-5-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[2,1-b]carbazole
CID 157150756
CID 157152933
CID 157152933
N,N-bis(4-bromophenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine
CID 157162323
5-Bromohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene;7,9-diphenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole;5-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)-7,9-diphenylbenzo[c]carbazole
CID 157217640

Frequently Asked Questions

What is the IUPAC name of 9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole?
The IUPAC name of 9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole (CID 157207303) is 9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole.
What is the SMILES notation for 9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole?
The canonical SMILES for 9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole is Brc1c2ccccc2c(Br)c2ccccc12.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc7c8ccc(C)cc8n(CCCCCC)c7c6)ccc4-5)c4ccccc34)cc21.CCCCCCn1c2cc(Br)ccc2c2ccc(Br)cc21.
What is the InChIKey of 9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole?
The InChIKey is ARMRLCRAZAJJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H113N.C41H64B2O4.C18H19Br2N.C14H8Br2/c1-8-13-18-23-27-35-56-91(57-36-28-24-19-14-9-2)83-61-67(6)44-50-73(83)75-53-48-71(64-85(75)91)89-79-40-31-33-42-81(79)90(82-43-34-32-41-80(82)89)72-49-54-76-74-52-46-69(70-47-55-78-77-51-45-68(7)62-87(77)93(88(78)66-70)60-39-22-17-12-5)63-84(74)92(86(76)65-72,58-37-29-25-20-15-10-3)59-38-30-26-21-16-11-4;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-2-3-4-5-10-21-17-11-13(19)6-8-15(17)16-9-7-14(20)12-18(16)21;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h31-34,40-55,61-66H,8-30,35-39,56-60H2,1-7H3;23-26,29-30H,11-22,27-28H2,1-10H3;6-9,11-12H,2-5,10H2,1H3;1-8H.
What are the key properties of 9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole?
9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole has a molecular weight of 2620.70 g/mol, XLogP of 51.30, 57 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dibromoanthracene;2,7-dibromo-9-hexylcarbazole;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;9-hexyl-2-methyl-7-[7-[10-(7-methyl-9,9-dioctylfluoren-2-yl)anthracen-9-yl]-9,9-dioctylfluoren-2-yl]carbazole is sourced from PubChem (CID 157207303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).