3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride

C306H236BrCl8N22O8SSi3+ — CID 158292289

IUPAC3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride
SMILESBrc1ccc(N(c2ccc([NH+](c3cc4ccccc4c4ccccc34)c3cc4ccccc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)cc1.C.C#Cc1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc(C#N)c(C#N)nc21.CCCCOCCOCCOc1c(C)sc(C)c1OCCOCCOCCCC.Cl.Cl.Cl[SiH2]c1ccc(N(c2ccc([SiH](Cl)Cl)cc2)c2ccc([Si](Cl)(Cl)Cl)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6ccc(-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)cc6c5c4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C72H54N4.2C60H42N2O.C54H35BrN2.C22H40O6S.C19HN11.C18H15Cl6NSi3.CH4.2ClH/c1-7-19-61(20-8-1)73(62-21-9-2-10-22-62)67-43-31-55(32-44-67)57-35-47-69(48-36-57)75(65-27-15-5-16-28-65)71-51-39-59(40-52-71)60-41-53-72(54-42-60)76(66-29-17-6-18-30-66)70-49-37-58(38-50-70)56-33-45-68(46-34-56)74(63-23-11-3-12-24-63)64-25-13-4-14-26-64;1-5-13-43(14-6-1)45-21-31-53(32-22-45)61(51-17-9-3-10-18-51)55-35-25-47(26-36-55)49-29-39-59-57(41-49)58-42-50(30-40-60(58)63-59)48-27-37-56(38-28-48)62(52-19-11-4-12-20-52)54-33-23-46(24-34-54)44-15-7-2-8-16-44;1-5-13-43(14-6-1)47-21-29-51(30-22-47)61(52-31-23-48(24-32-52)44-15-7-2-8-16-44)55-37-39-59-57(41-55)58-42-56(38-40-60(58)63-59)62(53-33-25-49(26-34-53)45-17-9-3-10-18-45)54-35-27-50(28-36-54)46-19-11-4-12-20-46;55-39-25-27-40(28-26-39)56(52-33-36-13-1-4-16-43(36)46-19-7-10-22-49(46)52)41-29-31-42(32-30-41)57(53-34-37-14-2-5-17-44(37)47-20-8-11-23-50(47)53)54-35-38-15-3-6-18-45(38)48-21-9-12-24-51(48)54;1-5-7-9-23-11-13-25-15-17-27-21-19(3)29-20(4)22(21)28-18-16-26-14-12-24-10-8-6-2;1-2-8-9(3-20)26-15-14(25-8)16-18(29-11(5-22)10(4-21)27-16)19-17(15)28-12(6-23)13(7-24)30-19;19-26-16-7-1-13(2-8-16)25(14-3-9-17(10-4-14)27(20)21)15-5-11-18(12-6-15)28(22,23)24;;;/h1-54H;2*1-42H;1-35H;5-18H2,1-4H3;1H;1-12,27H,26H2;1H4;2*1H/p+1
InChIKeyIVSYIYXWUKFUGB-UHFFFAOYSA-O
MW4829.25 g/mol
LogP81.97
Rot. Bonds67

About 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride

3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride (PubChem CID 158292289) has the molecular formula C306H236BrCl8N22O8SSi3+ and a molecular weight of 4829.25 g/mol. Its IUPAC name is 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride.

Molecular Properties

Compound Name3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride
PubChem CID158292289
Molecular FormulaC306H236BrCl8N22O8SSi3+
Molecular Weight4829.25 g/mol
Exact Mass4820.45
IUPAC Name3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride
SMILESBrc1ccc(N(c2ccc([NH+](c3cc4ccccc4c4ccccc34)c3cc4ccccc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)cc1.C.C#Cc1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc(C#N)c(C#N)nc21.CCCCOCCOCCOc1c(C)sc(C)c1OCCOCCOCCCC.Cl.Cl.Cl[SiH2]c1ccc(N(c2ccc([SiH](Cl)Cl)cc2)c2ccc([Si](Cl)(Cl)Cl)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6ccc(-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)cc6c5c4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C72H54N4.2C60H42N2O.C54H35BrN2.C22H40O6S.C19HN11.C18H15Cl6NSi3.CH4.2ClH/c1-7-19-61(20-8-1)73(62-21-9-2-10-22-62)67-43-31-55(32-44-67)57-35-47-69(48-36-57)75(65-27-15-5-16-28-65)71-51-39-59(40-52-71)60-41-53-72(54-42-60)76(66-29-17-6-18-30-66)70-49-37-58(38-50-70)56-33-45-68(46-34-56)74(63-23-11-3-12-24-63)64-25-13-4-14-26-64;1-5-13-43(14-6-1)45-21-31-53(32-22-45)61(51-17-9-3-10-18-51)55-35-25-47(26-36-55)49-29-39-59-57(41-49)58-42-50(30-40-60(58)63-59)48-27-37-56(38-28-48)62(52-19-11-4-12-20-52)54-33-23-46(24-34-54)44-15-7-2-8-16-44;1-5-13-43(14-6-1)47-21-29-51(30-22-47)61(52-31-23-48(24-32-52)44-15-7-2-8-16-44)55-37-39-59-57(41-55)58-42-56(38-40-60(58)63-59)62(53-33-25-49(26-34-53)45-17-9-3-10-18-45)54-35-27-50(28-36-54)46-19-11-4-12-20-46;55-39-25-27-40(28-26-39)56(52-33-36-13-1-4-16-43(36)46-19-7-10-22-49(46)52)41-29-31-42(32-30-41)57(53-34-37-14-2-5-17-44(37)47-20-8-11-23-50(47)53)54-35-38-15-3-6-18-45(38)48-21-9-12-24-51(48)54;1-5-7-9-23-11-13-25-15-17-27-21-19(3)29-20(4)22(21)28-18-16-26-14-12-24-10-8-6-2;1-2-8-9(3-20)26-15-14(25-8)16-18(29-11(5-22)10(4-21)27-16)19-17(15)28-12(6-23)13(7-24)30-19;19-26-16-7-1-13(2-8-16)25(14-3-9-17(10-4-14)27(20)21)15-5-11-18(12-6-15)28(22,23)24;;;/h1-54H;2*1-42H;1-35H;5-18H2,1-4H3;1H;1-12,27H,26H2;1H4;2*1H/p+1
InChIKeyIVSYIYXWUKFUGB-UHFFFAOYSA-O
XLogP81.97
TPSA314.79 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds67
Heavy Atoms349
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004829.25
LogP ≤ 581.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride with MolForge

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Related Compounds

2,3-bis[2-(2-butoxyethoxy)ethoxy]-1,4-dimethylcyclopenta-1,3-diene;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;4-trichlorosilyl-N,N-bis(4-trichlorosilylphenyl)aniline
CID 161338982
3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-ethenyl-N-(4-ethenylphenyl)-N-[4-(3-phenylbenzene-4-id-1-yl)phenyl]aniline;4-hydroxypent-3-en-2-one;iridium;iridium(3+);3-methyl-2-phenylpyridine;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;2-phenylpyridine;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide
CID 160688633
N-phenanthren-9-yl-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)naphtho[2,1-b][1]benzofuran-10-amine;N-phenyl-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine
CID 157491247
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenanthren-9-amine
CID 164843697
N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-3-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 160677532
1-N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-3-N-phenanthren-9-yl-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 170779449
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-9-amine
CID 168805258
N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)phenyl]-N-phenanthren-9-yldibenzofuran-2-amine
CID 146647683
N-(4-bromophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118632283

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride?
The IUPAC name of 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride (CID 158292289) is 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride.
What is the SMILES notation for 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride?
The canonical SMILES for 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride is Brc1ccc(N(c2ccc([NH+](c3cc4ccccc4c4ccccc34)c3cc4ccccc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)cc1.C.C#Cc1nc2c(nc1C#N)c1nc(C#N)c(C#N)nc1c1nc(C#N)c(C#N)nc21.CCCCOCCOCCOc1c(C)sc(C)c1OCCOCCOCCCC.Cl.Cl.Cl[SiH2]c1ccc(N(c2ccc([SiH](Cl)Cl)cc2)c2ccc([Si](Cl)(Cl)Cl)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4oc5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6ccc(-c7ccc(N(c8ccccc8)c8ccc(-c9ccccc9)cc8)cc7)cc6c5c4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride?
The InChIKey is IVSYIYXWUKFUGB-UHFFFAOYSA-O. The full InChI is InChI=1S/C72H54N4.2C60H42N2O.C54H35BrN2.C22H40O6S.C19HN11.C18H15Cl6NSi3.CH4.2ClH/c1-7-19-61(20-8-1)73(62-21-9-2-10-22-62)67-43-31-55(32-44-67)57-35-47-69(48-36-57)75(65-27-15-5-16-28-65)71-51-39-59(40-52-71)60-41-53-72(54-42-60)76(66-29-17-6-18-30-66)70-49-37-58(38-50-70)56-33-45-68(46-34-56)74(63-23-11-3-12-24-63)64-25-13-4-14-26-64;1-5-13-43(14-6-1)45-21-31-53(32-22-45)61(51-17-9-3-10-18-51)55-35-25-47(26-36-55)49-29-39-59-57(41-49)58-42-50(30-40-60(58)63-59)48-27-37-56(38-28-48)62(52-19-11-4-12-20-52)54-33-23-46(24-34-54)44-15-7-2-8-16-44;1-5-13-43(14-6-1)47-21-29-51(30-22-47)61(52-31-23-48(24-32-52)44-15-7-2-8-16-44)55-37-39-59-57(41-55)58-42-56(38-40-60(58)63-59)62(53-33-25-49(26-34-53)45-17-9-3-10-18-45)54-35-27-50(28-36-54)46-19-11-4-12-20-46;55-39-25-27-40(28-26-39)56(52-33-36-13-1-4-16-43(36)46-19-7-10-22-49(46)52)41-29-31-42(32-30-41)57(53-34-37-14-2-5-17-44(37)47-20-8-11-23-50(47)53)54-35-38-15-3-6-18-45(38)48-21-9-12-24-51(48)54;1-5-7-9-23-11-13-25-15-17-27-21-19(3)29-20(4)22(21)28-18-16-26-14-12-24-10-8-6-2;1-2-8-9(3-20)26-15-14(25-8)16-18(29-11(5-22)10(4-21)27-16)19-17(15)28-12(6-23)13(7-24)30-19;19-26-16-7-1-13(2-8-16)25(14-3-9-17(10-4-14)27(20)21)15-5-11-18(12-6-15)28(22,23)24;;;/h1-54H;2*1-42H;1-35H;5-18H2,1-4H3;1H;1-12,27H,26H2;1H4;2*1H/p+1.
What are the key properties of 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride?
3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride has a molecular weight of 4829.25 g/mol, XLogP of 81.97, 67 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[2-(2-butoxyethoxy)ethoxy]-2,5-dimethylthiophene;[4-(4-bromo-N-phenanthren-9-ylanilino)phenyl]-di(phenanthren-9-yl)azanium;4-chlorosilyl-N-(4-dichlorosilylphenyl)-N-(4-trichlorosilylphenyl)aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[8-[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]phenyl]aniline;17-ethynyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16-pentacarbonitrile;methane;2-N,2-N,8-N,8-N-tetrakis(4-phenylphenyl)dibenzofuran-2,8-diamine;dihydrochloride is sourced from PubChem (CID 158292289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).