N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane

C275H334B2Br4N8O6 — CID 157050108

IUPACN-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane
SMILESC.C.CC(C)(C)c1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccc(N(c4ccc(Br)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCOc1ccc(-c2nc3c4cc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc(-c7ccc(N(c8ccc(-c9ccc(N(c%10ccc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11cc(-c%13ccccc%13)ccc%11-%12)cc%10)c%10ccc(C(C)(C)C)cc%10)cc9)cc8)c8ccc(C(C)(C)C)cc8)cc7)ccc5-6)ccc4c4ccc(-c5ccccc5)cc4c3n2CCCCCCCC)cc1.CCCCCCCCOc1ccc(-c2nc3c4cc(Br)ccc4c4ccc(Br)cc4c3n2CCCCCCCC)cc1
InChIInChI=1S/C151H176N4O.C44H42Br2N2.C41H64B2O4.C37H44Br2N2O.2CH4/c1-13-19-25-31-37-49-99-150(100-50-38-32-26-20-14-2)141-107-120(112-57-47-44-48-58-112)71-95-135(141)136-96-72-121(108-142(136)150)115-63-83-128(84-64-115)154(130-87-75-124(76-88-130)148(7,8)9)126-79-59-113(60-80-126)114-61-81-127(82-62-114)155(131-89-77-125(78-90-131)149(10,11)12)129-85-65-116(66-86-129)122-73-97-137-138-98-74-123(110-144(138)151(143(137)109-122,101-51-39-33-27-21-15-3)102-52-40-34-28-22-16-4)119-70-93-133-134-94-69-118(111-55-45-43-46-56-111)106-140(134)146-145(139(133)105-119)152-147(153(146)103-53-41-35-29-23-17-5)117-67-91-132(92-68-117)156-104-54-42-36-30-24-18-6;1-43(2,3)33-11-23-39(24-12-33)47(41-27-15-35(45)16-28-41)37-19-7-31(8-20-37)32-9-21-38(22-10-32)48(42-29-17-36(46)18-30-42)40-25-13-34(14-26-40)44(4,5)6;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;1-3-5-7-9-11-13-23-41-36-34-26-29(39)18-22-32(34)31-21-17-28(38)25-33(31)35(36)40-37(41)27-15-19-30(20-16-27)42-24-14-12-10-8-6-4-2;;/h43-48,55-98,105-110H,13-42,49-54,99-104H2,1-12H3;7-30H,1-6H3;23-26,29-30H,11-22,27-28H2,1-10H3;15-22,25-26H,3-14,23-24H2,1-2H3;2*1H4
InChIKeyAACFPGVCMUHWAF-UHFFFAOYSA-N
MW4188.99 g/mol
LogP84.55
Rot. Bonds95

About N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane

N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane (PubChem CID 157050108) has the molecular formula C275H334B2Br4N8O6 and a molecular weight of 4188.99 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane
PubChem CID157050108
Molecular FormulaC275H334B2Br4N8O6
Molecular Weight4188.99 g/mol
Exact Mass4182.30
IUPAC NameN-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane
SMILESC.C.CC(C)(C)c1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccc(N(c4ccc(Br)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCOc1ccc(-c2nc3c4cc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc(-c7ccc(N(c8ccc(-c9ccc(N(c%10ccc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11cc(-c%13ccccc%13)ccc%11-%12)cc%10)c%10ccc(C(C)(C)C)cc%10)cc9)cc8)c8ccc(C(C)(C)C)cc8)cc7)ccc5-6)ccc4c4ccc(-c5ccccc5)cc4c3n2CCCCCCCC)cc1.CCCCCCCCOc1ccc(-c2nc3c4cc(Br)ccc4c4ccc(Br)cc4c3n2CCCCCCCC)cc1
InChIInChI=1S/C151H176N4O.C44H42Br2N2.C41H64B2O4.C37H44Br2N2O.2CH4/c1-13-19-25-31-37-49-99-150(100-50-38-32-26-20-14-2)141-107-120(112-57-47-44-48-58-112)71-95-135(141)136-96-72-121(108-142(136)150)115-63-83-128(84-64-115)154(130-87-75-124(76-88-130)148(7,8)9)126-79-59-113(60-80-126)114-61-81-127(82-62-114)155(131-89-77-125(78-90-131)149(10,11)12)129-85-65-116(66-86-129)122-73-97-137-138-98-74-123(110-144(138)151(143(137)109-122,101-51-39-33-27-21-15-3)102-52-40-34-28-22-16-4)119-70-93-133-134-94-69-118(111-55-45-43-46-56-111)106-140(134)146-145(139(133)105-119)152-147(153(146)103-53-41-35-29-23-17-5)117-67-91-132(92-68-117)156-104-54-42-36-30-24-18-6;1-43(2,3)33-11-23-39(24-12-33)47(41-27-15-35(45)16-28-41)37-19-7-31(8-20-37)32-9-21-38(22-10-32)48(42-29-17-36(46)18-30-42)40-25-13-34(14-26-40)44(4,5)6;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;1-3-5-7-9-11-13-23-41-36-34-26-29(39)18-22-32(34)31-21-17-28(38)25-33(31)35(36)40-37(41)27-15-19-30(20-16-27)42-24-14-12-10-8-6-4-2;;/h43-48,55-98,105-110H,13-42,49-54,99-104H2,1-12H3;7-30H,1-6H3;23-26,29-30H,11-22,27-28H2,1-10H3;15-22,25-26H,3-14,23-24H2,1-2H3;2*1H4
InChIKeyAACFPGVCMUHWAF-UHFFFAOYSA-N
XLogP84.55
TPSA103.98 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds95
Heavy Atoms295
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004188.99
LogP ≤ 584.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane with MolForge

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Related Compounds

5,10-Dibromo-2-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole;4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 90991991
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-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole
CID 57667610
5,10-Dibromo-2-[4-(2-ethylhexoxy)phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 57667620
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
4-[10-(9,9-dioctyl-7-phenylfluoren-2-yl)-3-(2-ethylhexyl)-5-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]phenanthro[9,10-d]imidazol-2-yl]-N,N-diphenylaniline
CID 57667695
N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline
CID 57667702
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
2-(4-Octoxyphenyl)-5-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]-3-octyl-10-(4-phenylphenyl)phenanthro[9,10-d]imidazole
CID 57667718
6,9-Dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[9,10-d]imidazole
CID 57667719
5-[7-[10-(9,9-Dioctyl-7-phenylfluoren-2-yl)-2-(9-ethylcarbazol-3-yl)-3-(2-ethyloctyl)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 58003952
5,10-Dibromo-2-(4-dodecoxyphenyl)-3-dodecylphenanthro[9,10-d]imidazole
CID 87158280

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane?
The IUPAC name of N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane (CID 157050108) is N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane.
What is the SMILES notation for N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane?
The canonical SMILES for N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane is C.C.CC(C)(C)c1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccc(N(c4ccc(Br)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCOc1ccc(-c2nc3c4cc(-c5ccc6c(c5)C(CCCCCCCC)(CCCCCCCC)c5cc(-c7ccc(N(c8ccc(-c9ccc(N(c%10ccc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11cc(-c%13ccccc%13)ccc%11-%12)cc%10)c%10ccc(C(C)(C)C)cc%10)cc9)cc8)c8ccc(C(C)(C)C)cc8)cc7)ccc5-6)ccc4c4ccc(-c5ccccc5)cc4c3n2CCCCCCCC)cc1.CCCCCCCCOc1ccc(-c2nc3c4cc(Br)ccc4c4ccc(Br)cc4c3n2CCCCCCCC)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane?
The InChIKey is AACFPGVCMUHWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C151H176N4O.C44H42Br2N2.C41H64B2O4.C37H44Br2N2O.2CH4/c1-13-19-25-31-37-49-99-150(100-50-38-32-26-20-14-2)141-107-120(112-57-47-44-48-58-112)71-95-135(141)136-96-72-121(108-142(136)150)115-63-83-128(84-64-115)154(130-87-75-124(76-88-130)148(7,8)9)126-79-59-113(60-80-126)114-61-81-127(82-62-114)155(131-89-77-125(78-90-131)149(10,11)12)129-85-65-116(66-86-129)122-73-97-137-138-98-74-123(110-144(138)151(143(137)109-122,101-51-39-33-27-21-15-3)102-52-40-34-28-22-16-4)119-70-93-133-134-94-69-118(111-55-45-43-46-56-111)106-140(134)146-145(139(133)105-119)152-147(153(146)103-53-41-35-29-23-17-5)117-67-91-132(92-68-117)156-104-54-42-36-30-24-18-6;1-43(2,3)33-11-23-39(24-12-33)47(41-27-15-35(45)16-28-41)37-19-7-31(8-20-37)32-9-21-38(22-10-32)48(42-29-17-36(46)18-30-42)40-25-13-34(14-26-40)44(4,5)6;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;1-3-5-7-9-11-13-23-41-36-34-26-29(39)18-22-32(34)31-21-17-28(38)25-33(31)35(36)40-37(41)27-15-19-30(20-16-27)42-24-14-12-10-8-6-4-2;;/h43-48,55-98,105-110H,13-42,49-54,99-104H2,1-12H3;7-30H,1-6H3;23-26,29-30H,11-22,27-28H2,1-10H3;15-22,25-26H,3-14,23-24H2,1-2H3;2*1H4.
What are the key properties of N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane?
N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane has a molecular weight of 4188.99 g/mol, XLogP of 84.55, 95 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)-4-tert-butylanilino)phenyl]-N-(4-tert-butylphenyl)aniline;N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[7-[2-(4-octoxyphenyl)-1-octyl-10-phenylphenanthro[9,10-d]imidazol-5-yl]-9,9-dioctylfluoren-2-yl]anilino]phenyl]-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]aniline;5,10-dibromo-2-(4-octoxyphenyl)-3-octylphenanthro[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;methane is sourced from PubChem (CID 157050108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).