5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

C231H292B4Br2N6O11 — CID 157115500

IUPAC5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
SMILESC.C.CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C.CCCCC(CC)COc1ccc2ccccc2c1-c1nc2c3cc(Br)ccc3c3ccc(Br)cc3c2n1CC(CC)CCCC.CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc4c5ccc(-c6ccccc6)cc5c5c(nc(-c6c(OCC(CC)CCCC)ccc7ccccc67)n5CC(CC)CCCC)c4c3)ccc2-c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccccc7)cc6)cc5c5nc(-c6c(OCC(CC)CCCC)ccc7ccccc67)n(CC(CC)CCCC)c5c4c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21
InChIInChI=1S/C129H146N4O2.C41H64B2O4.C41H46Br2N2O.C18H28B2O4.2CH4/c1-11-21-27-29-31-43-77-129(78-44-32-30-28-22-12-2)117-83-103(101-63-70-108-109-71-62-100(94-51-37-34-38-52-94)81-115(109)125-124(114(108)80-101)131-128(132(125)85-89(17-7)45-23-13-3)122-106-56-42-40-54-98(106)68-76-120(122)135-88-92(20-10)48-26-16-6)65-73-111(117)112-74-66-104(84-118(112)129)102-64-72-110-107-69-61-99(96-59-57-95(58-60-96)93-49-35-33-36-50-93)79-113(107)123-126(116(110)82-102)133(86-90(18-8)46-24-14-4)127(130-123)121-105-55-41-39-53-97(105)67-75-119(121)134-87-91(19-9)47-25-15-5;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;1-5-9-13-27(7-3)25-45-40-36-24-31(43)19-21-34(36)33-20-18-30(42)23-35(33)39(40)44-41(45)38-32-16-12-11-15-29(32)17-22-37(38)46-26-28(8-4)14-10-6-2;1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20;;/h33-42,49-76,79-84,89-92H,11-32,43-48,77-78,85-88H2,1-10H3;23-26,29-30H,11-22,27-28H2,1-10H3;11-12,15-24,27-28H,5-10,13-14,25-26H2,1-4H3;9-12H,1-8H3;2*1H4
InChIKeyAHIUIXUQDFFYNX-UHFFFAOYSA-N
MW3531.96 g/mol
LogP65.47
Rot. Bonds79

About 5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane (PubChem CID 157115500) has the molecular formula C231H292B4Br2N6O11 and a molecular weight of 3531.96 g/mol. Its IUPAC name is 5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
PubChem CID157115500
Molecular FormulaC231H292B4Br2N6O11
Molecular Weight3531.96 g/mol
Exact Mass3528.12
IUPAC Name5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
SMILESC.C.CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C.CCCCC(CC)COc1ccc2ccccc2c1-c1nc2c3cc(Br)ccc3c3ccc(Br)cc3c2n1CC(CC)CCCC.CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc4c5ccc(-c6ccccc6)cc5c5c(nc(-c6c(OCC(CC)CCCC)ccc7ccccc67)n5CC(CC)CCCC)c4c3)ccc2-c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccccc7)cc6)cc5c5nc(-c6c(OCC(CC)CCCC)ccc7ccccc67)n(CC(CC)CCCC)c5c4c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21
InChIInChI=1S/C129H146N4O2.C41H64B2O4.C41H46Br2N2O.C18H28B2O4.2CH4/c1-11-21-27-29-31-43-77-129(78-44-32-30-28-22-12-2)117-83-103(101-63-70-108-109-71-62-100(94-51-37-34-38-52-94)81-115(109)125-124(114(108)80-101)131-128(132(125)85-89(17-7)45-23-13-3)122-106-56-42-40-54-98(106)68-76-120(122)135-88-92(20-10)48-26-16-6)65-73-111(117)112-74-66-104(84-118(112)129)102-64-72-110-107-69-61-99(96-59-57-95(58-60-96)93-49-35-33-36-50-93)79-113(107)123-126(116(110)82-102)133(86-90(18-8)46-24-14-4)127(130-123)121-105-55-41-39-53-97(105)67-75-119(121)134-87-91(19-9)47-25-15-5;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;1-5-9-13-27(7-3)25-45-40-36-24-31(43)19-21-34(36)33-20-18-30(42)23-35(33)39(40)44-41(45)38-32-16-12-11-15-29(32)17-22-37(38)46-26-28(8-4)14-10-6-2;1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20;;/h33-42,49-76,79-84,89-92H,11-32,43-48,77-78,85-88H2,1-10H3;23-26,29-30H,11-22,27-28H2,1-10H3;11-12,15-24,27-28H,5-10,13-14,25-26H2,1-4H3;9-12H,1-8H3;2*1H4
InChIKeyAHIUIXUQDFFYNX-UHFFFAOYSA-N
XLogP65.47
TPSA154.99 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds79
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003531.96
LogP ≤ 565.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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_3', 'substructure': 'N/A'}

Analyze 5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane with MolForge

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Related Compounds

2,10-Bis(4-methoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-3-[3-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole;5,10-dibromo-2-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 161641096
5,10-Dibromo-2-(2-hexoxynaphthalen-1-yl)-3-hexylphenanthro[9,10-d]imidazole
CID 57667614
5,10-Dibromo-2-(2-pentoxynaphthalen-1-yl)-3-pentylphenanthro[9,10-d]imidazole
CID 57667627
2-[2-(2-Ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole
CID 57667646
6,9-Dibromo-2-(2-octoxynaphthalen-1-yl)-3-octylphenanthro[9,10-d]imidazole
CID 57667669
5,10-Dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-phenylphenanthro[9,10-d]imidazole
CID 57667675
5,10-Dibromo-2-[2-(2-ethylheptoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole
CID 57667678
5,10-Dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole
CID 57667683
5-[7-[10-(9,9-Dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-hexyldecyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazole
CID 57667691
5,10-Dibromo-2-[2-(2-hexyldecoxy)naphthalen-1-yl]-3-(2-hexyldecyl)phenanthro[9,10-d]imidazole
CID 57667707
5-[7-[10-(9,9-Dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-hexyldecyl)phenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazole
CID 57667710
5,10-Bis(1,3,2-dioxaborolan-2-yl)-2-(2-hexoxynaphthalen-1-yl)-3-hexylphenanthro[9,10-d]imidazole
CID 57667711

Frequently Asked Questions

What is the IUPAC name of 5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?
The IUPAC name of 5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane (CID 157115500) is 5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane is C.C.CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C.CCCCC(CC)COc1ccc2ccccc2c1-c1nc2c3cc(Br)ccc3c3ccc(Br)cc3c2n1CC(CC)CCCC.CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc4c5ccc(-c6ccccc6)cc5c5c(nc(-c6c(OCC(CC)CCCC)ccc7ccccc67)n5CC(CC)CCCC)c4c3)ccc2-c2ccc(-c3ccc4c5ccc(-c6ccc(-c7ccccc7)cc6)cc5c5nc(-c6c(OCC(CC)CCCC)ccc7ccccc67)n(CC(CC)CCCC)c5c4c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.
What is the InChIKey of 5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?
The InChIKey is AHIUIXUQDFFYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C129H146N4O2.C41H64B2O4.C41H46Br2N2O.C18H28B2O4.2CH4/c1-11-21-27-29-31-43-77-129(78-44-32-30-28-22-12-2)117-83-103(101-63-70-108-109-71-62-100(94-51-37-34-38-52-94)81-115(109)125-124(114(108)80-101)131-128(132(125)85-89(17-7)45-23-13-3)122-106-56-42-40-54-98(106)68-76-120(122)135-88-92(20-10)48-26-16-6)65-73-111(117)112-74-66-104(84-118(112)129)102-64-72-110-107-69-61-99(96-59-57-95(58-60-96)93-49-35-33-36-50-93)79-113(107)123-126(116(110)82-102)133(86-90(18-8)46-24-14-4)127(130-123)121-105-55-41-39-53-97(105)67-75-119(121)134-87-91(19-9)47-25-15-5;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;1-5-9-13-27(7-3)25-45-40-36-24-31(43)19-21-34(36)33-20-18-30(42)23-35(33)39(40)44-41(45)38-32-16-12-11-15-29(32)17-22-37(38)46-26-28(8-4)14-10-6-2;1-15(2)16(3,4)22-19(21-15)13-9-11-14(12-10-13)20-23-17(5,6)18(7,8)24-20;;/h33-42,49-76,79-84,89-92H,11-32,43-48,77-78,85-88H2,1-10H3;23-26,29-30H,11-22,27-28H2,1-10H3;11-12,15-24,27-28H,5-10,13-14,25-26H2,1-4H3;9-12H,1-8H3;2*1H4.
What are the key properties of 5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane?
5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 3531.96 g/mol, XLogP of 65.47, 79 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dibromo-2-[2-(2-ethylhexoxy)naphthalen-1-yl]-3-(2-ethylhexyl)phenanthro[9,10-d]imidazole;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;2-[2-(2-ethylhexoxy)naphthalen-1-yl]-5-[7-[2-[2-(2-ethylhexoxy)naphthalen-1-yl]-1-(2-ethylhexyl)-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-(2-ethylhexyl)-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole;methane;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 157115500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).