4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid

C347H375Br2N7O12 — CID 163662845

IUPAC4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid
SMILESCCCCCCCCCCOc1cccc(/C=C/c2cc(/C=C/c3ccc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)cc3)cc(/C=C/c3cccc(OCCCCCCCCCC)c3)c2)c1.CCCCCCCCCCOc1cccc(/C=C/c2cc(/C=C/c3cccc(OCCCCCCCCCC)c3)cc(/C=C/c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6cc(/C=C/c7cc(/C=C/c8cccc(OCCCCCCCCCC)c8)cc(/C=C/c8cccc(OCCCCCCCCCC)c8)c7)ccc65)cc4)cc3)c2)c1.CCCCCCCCCCOc1cccc(/C=C/c2cc(/C=C/c3cccc(OCCCCCCCCCC)c3)cc(/C=C/c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6cc(C(=O)O)ccc65)cc4)cc3)c2)c1.CCCCCCCCCCOc1cccc(/C=C/c2cc(/C=C/c3cccc(OCCCCCCCCCC)c3)cc(/C=C/c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c2)c1
InChIInChI=1S/C124H140N2O4.C81H82N2O4.C80H82N2O2.C62H71Br2NO2/c1-5-9-13-17-21-25-29-37-81-127-113-49-41-45-97(91-113)57-63-103-85-104(64-58-98-46-42-50-114(92-98)128-82-38-30-26-22-18-14-10-6-2)88-107(87-103)67-61-101-69-79-123-119(95-101)117-53-33-35-55-121(117)125(123)111-75-71-109(72-76-111)110-73-77-112(78-74-110)126-122-56-36-34-54-118(122)120-96-102(70-80-124(120)126)62-68-108-89-105(65-59-99-47-43-51-115(93-99)129-83-39-31-27-23-19-15-11-7-3)86-106(90-108)66-60-100-48-44-52-116(94-100)130-84-40-32-28-24-20-16-12-8-4;1-3-5-7-9-11-13-15-21-51-86-71-27-23-25-60(56-71)33-36-63-53-64(37-34-61-26-24-28-72(57-61)87-52-22-16-14-12-10-8-6-4-2)55-65(54-63)38-35-62-39-49-79-75(58-62)73-29-17-19-31-77(73)82(79)69-45-40-66(41-46-69)67-42-47-70(48-43-67)83-78-32-20-18-30-74(78)76-59-68(81(84)85)44-50-80(76)83;1-3-5-7-9-11-13-15-23-53-83-71-29-25-27-61(58-71)37-40-64-55-65(41-38-62-28-26-30-72(59-62)84-54-24-16-14-12-10-8-6-4-2)57-66(56-64)42-39-63-43-52-80-76(60-63)75-33-19-22-36-79(75)82(80)70-50-46-68(47-51-70)67-44-48-69(49-45-67)81-77-34-20-17-31-73(77)74-32-18-21-35-78(74)81;1-3-5-7-9-11-13-15-17-43-66-61-23-19-21-51(48-61)26-29-54-45-53(46-55(47-54)30-27-52-22-20-24-62(49-52)67-44-18-16-14-12-10-8-6-4-2)28-25-50-31-37-58(38-32-50)65(59-39-33-56(63)34-40-59)60-41-35-57(64)36-42-60/h33-36,41-80,85-96H,5-32,37-40,81-84H2,1-4H3;17-20,23-50,53-59H,3-16,21-22,51-52H2,1-2H3,(H,84,85);17-22,25-52,55-60H,3-16,23-24,53-54H2,1-2H3;19-42,45-49H,3-18,43-44H2,1-2H3/b63-57+,64-58+,65-59+,66-60+,67-61+,68-62+;36-33+,37-34+,38-35+;40-37+,41-38+,42-39+;28-25+,29-26+,30-27+
InChIKeyIVVVPSUSJWJBFV-IRSBCMSISA-N
MW4995.66 g/mol
LogP102.77
Rot. Bonds143

About 4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid

4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid (PubChem CID 163662845) has the molecular formula C347H375Br2N7O12 and a molecular weight of 4995.66 g/mol. Its IUPAC name is 4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid
PubChem CID163662845
Molecular FormulaC347H375Br2N7O12
Molecular Weight4995.66 g/mol
Exact Mass4989.73
IUPAC Name4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid
SMILESCCCCCCCCCCOc1cccc(/C=C/c2cc(/C=C/c3ccc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)cc3)cc(/C=C/c3cccc(OCCCCCCCCCC)c3)c2)c1.CCCCCCCCCCOc1cccc(/C=C/c2cc(/C=C/c3cccc(OCCCCCCCCCC)c3)cc(/C=C/c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6cc(/C=C/c7cc(/C=C/c8cccc(OCCCCCCCCCC)c8)cc(/C=C/c8cccc(OCCCCCCCCCC)c8)c7)ccc65)cc4)cc3)c2)c1.CCCCCCCCCCOc1cccc(/C=C/c2cc(/C=C/c3cccc(OCCCCCCCCCC)c3)cc(/C=C/c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6cc(C(=O)O)ccc65)cc4)cc3)c2)c1.CCCCCCCCCCOc1cccc(/C=C/c2cc(/C=C/c3cccc(OCCCCCCCCCC)c3)cc(/C=C/c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c2)c1
InChIInChI=1S/C124H140N2O4.C81H82N2O4.C80H82N2O2.C62H71Br2NO2/c1-5-9-13-17-21-25-29-37-81-127-113-49-41-45-97(91-113)57-63-103-85-104(64-58-98-46-42-50-114(92-98)128-82-38-30-26-22-18-14-10-6-2)88-107(87-103)67-61-101-69-79-123-119(95-101)117-53-33-35-55-121(117)125(123)111-75-71-109(72-76-111)110-73-77-112(78-74-110)126-122-56-36-34-54-118(122)120-96-102(70-80-124(120)126)62-68-108-89-105(65-59-99-47-43-51-115(93-99)129-83-39-31-27-23-19-15-11-7-3)86-106(90-108)66-60-100-48-44-52-116(94-100)130-84-40-32-28-24-20-16-12-8-4;1-3-5-7-9-11-13-15-21-51-86-71-27-23-25-60(56-71)33-36-63-53-64(37-34-61-26-24-28-72(57-61)87-52-22-16-14-12-10-8-6-4-2)55-65(54-63)38-35-62-39-49-79-75(58-62)73-29-17-19-31-77(73)82(79)69-45-40-66(41-46-69)67-42-47-70(48-43-67)83-78-32-20-18-30-74(78)76-59-68(81(84)85)44-50-80(76)83;1-3-5-7-9-11-13-15-23-53-83-71-29-25-27-61(58-71)37-40-64-55-65(41-38-62-28-26-30-72(59-62)84-54-24-16-14-12-10-8-6-4-2)57-66(56-64)42-39-63-43-52-80-76(60-63)75-33-19-22-36-79(75)82(80)70-50-46-68(47-51-70)67-44-48-69(49-45-67)81-77-34-20-17-31-73(77)74-32-18-21-35-78(74)81;1-3-5-7-9-11-13-15-17-43-66-61-23-19-21-51(48-61)26-29-54-45-53(46-55(47-54)30-27-52-22-20-24-62(49-52)67-44-18-16-14-12-10-8-6-4-2)28-25-50-31-37-58(38-32-50)65(59-39-33-56(63)34-40-59)60-41-35-57(64)36-42-60/h33-36,41-80,85-96H,5-32,37-40,81-84H2,1-4H3;17-20,23-50,53-59H,3-16,21-22,51-52H2,1-2H3,(H,84,85);17-22,25-52,55-60H,3-16,23-24,53-54H2,1-2H3;19-42,45-49H,3-18,43-44H2,1-2H3/b63-57+,64-58+,65-59+,66-60+,67-61+,68-62+;36-33+,37-34+,38-35+;40-37+,41-38+,42-39+;28-25+,29-26+,30-27+
InChIKeyIVVVPSUSJWJBFV-IRSBCMSISA-N
XLogP102.77
TPSA162.42 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds143
Heavy Atoms368
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004995.66
LogP ≤ 5102.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid with MolForge

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Related Compounds

2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 158122260
2-[1-(4-Bromobenzoyl)-5-[2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]-3,3-dimethylbutanoyl]oxy-2-methylindol-3-yl]acetic acid
CID 69569611
2-[1-(4-Bromobenzoyl)-5-[2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]-3-methylpentanoyl]oxy-2-methylindol-3-yl]acetic acid
CID 69570137
2-[1-(4-Bromobenzoyl)-5-[2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]pentanoyloxy]-2-methylindol-3-yl]acetic acid
CID 69570188
3,5-Bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]phenyl]benzoic acid
CID 90067720
3,5-Bis[4-[3,6-bis(4-butoxyphenyl)carbazol-9-yl]phenyl]benzoic acid
CID 90067753
4-[3,6-Bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]benzoic acid
CID 90067771
4-[3,6-Bis(4-butoxyphenyl)carbazol-9-yl]benzoic acid
CID 90067808
3-Bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole
CID 90347879
3-[9-(3-Bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole
CID 90347889
3,6-Bis(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 90347892
3-Bromo-9-(4-bromophenyl)-6-[9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 90347895

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid?
The IUPAC name of 4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid (CID 163662845) is 4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid.
What is the SMILES notation for 4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid?
The canonical SMILES for 4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid is CCCCCCCCCCOc1cccc(/C=C/c2cc(/C=C/c3ccc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)cc3)cc(/C=C/c3cccc(OCCCCCCCCCC)c3)c2)c1.CCCCCCCCCCOc1cccc(/C=C/c2cc(/C=C/c3cccc(OCCCCCCCCCC)c3)cc(/C=C/c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6cc(/C=C/c7cc(/C=C/c8cccc(OCCCCCCCCCC)c8)cc(/C=C/c8cccc(OCCCCCCCCCC)c8)c7)ccc65)cc4)cc3)c2)c1.CCCCCCCCCCOc1cccc(/C=C/c2cc(/C=C/c3cccc(OCCCCCCCCCC)c3)cc(/C=C/c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6cc(C(=O)O)ccc65)cc4)cc3)c2)c1.CCCCCCCCCCOc1cccc(/C=C/c2cc(/C=C/c3cccc(OCCCCCCCCCC)c3)cc(/C=C/c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c2)c1.
What is the InChIKey of 4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid?
The InChIKey is IVVVPSUSJWJBFV-IRSBCMSISA-N. The full InChI is InChI=1S/C124H140N2O4.C81H82N2O4.C80H82N2O2.C62H71Br2NO2/c1-5-9-13-17-21-25-29-37-81-127-113-49-41-45-97(91-113)57-63-103-85-104(64-58-98-46-42-50-114(92-98)128-82-38-30-26-22-18-14-10-6-2)88-107(87-103)67-61-101-69-79-123-119(95-101)117-53-33-35-55-121(117)125(123)111-75-71-109(72-76-111)110-73-77-112(78-74-110)126-122-56-36-34-54-118(122)120-96-102(70-80-124(120)126)62-68-108-89-105(65-59-99-47-43-51-115(93-99)129-83-39-31-27-23-19-15-11-7-3)86-106(90-108)66-60-100-48-44-52-116(94-100)130-84-40-32-28-24-20-16-12-8-4;1-3-5-7-9-11-13-15-21-51-86-71-27-23-25-60(56-71)33-36-63-53-64(37-34-61-26-24-28-72(57-61)87-52-22-16-14-12-10-8-6-4-2)55-65(54-63)38-35-62-39-49-79-75(58-62)73-29-17-19-31-77(73)82(79)69-45-40-66(41-46-69)67-42-47-70(48-43-67)83-78-32-20-18-30-74(78)76-59-68(81(84)85)44-50-80(76)83;1-3-5-7-9-11-13-15-23-53-83-71-29-25-27-61(58-71)37-40-64-55-65(41-38-62-28-26-30-72(59-62)84-54-24-16-14-12-10-8-6-4-2)57-66(56-64)42-39-63-43-52-80-76(60-63)75-33-19-22-36-79(75)82(80)70-50-46-68(47-51-70)67-44-48-69(49-45-67)81-77-34-20-17-31-73(77)74-32-18-21-35-78(74)81;1-3-5-7-9-11-13-15-17-43-66-61-23-19-21-51(48-61)26-29-54-45-53(46-55(47-54)30-27-52-22-20-24-62(49-52)67-44-18-16-14-12-10-8-6-4-2)28-25-50-31-37-58(38-32-50)65(59-39-33-56(63)34-40-59)60-41-35-57(64)36-42-60/h33-36,41-80,85-96H,5-32,37-40,81-84H2,1-4H3;17-20,23-50,53-59H,3-16,21-22,51-52H2,1-2H3,(H,84,85);17-22,25-52,55-60H,3-16,23-24,53-54H2,1-2H3;19-42,45-49H,3-18,43-44H2,1-2H3/b63-57+,64-58+,65-59+,66-60+,67-61+,68-62+;36-33+,37-34+,38-35+;40-37+,41-38+,42-39+;28-25+,29-26+,30-27+.
What are the key properties of 4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid?
4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid has a molecular weight of 4995.66 g/mol, XLogP of 102.77, 143 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid is sourced from PubChem (CID 163662845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).