3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine

C420H308N18S6 — CID 158429552

IUPAC3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESC.C.C.C.C.C.C1=C(c2cc3c4ccccc4n(-c4ccccc4)c3c3sc4ccccc4c23)C=C(N(c2ccccc2)c2cccc(-c3ccccc3)c2)CC1N(c1ccccc1)c1ccc(-c2ccccc2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccccc4)c4ccc5ccccc5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccccc4)c4ccccc4-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C79H53N3S.C70H47N3S.C69H49N3S.C66H45N3S.C66H47N3S.C64H43N3S.6CH4/c1-7-25-54(26-8-1)55-43-45-62(46-44-55)80(59-31-13-4-14-32-59)64-49-56(70-53-71-68-38-20-23-41-74(68)82(61-35-17-6-18-36-61)77(71)78-76(70)69-39-21-24-42-75(69)83-78)50-65(51-64)81(60-33-15-5-16-34-60)63-47-48-67-66-37-19-22-40-72(66)79(73(67)52-63,57-27-9-2-10-28-57)58-29-11-3-12-30-58;1-5-20-48(21-6-1)49-36-40-56(41-37-49)71(53-24-7-2-8-25-53)58-44-52(45-59(46-58)72(54-26-9-3-10-27-54)57-42-38-51(39-43-57)61-33-19-23-50-22-13-14-30-60(50)61)64-47-65-62-31-15-17-34-66(62)73(55-28-11-4-12-29-55)69(65)70-68(64)63-32-16-18-35-67(63)74-70;1-69(2)62-32-18-15-29-56(62)57-40-39-53(44-63(57)69)71(50-25-11-5-12-26-50)55-42-48(41-54(43-55)70(49-23-9-4-10-24-49)52-37-35-47(36-38-52)46-21-7-3-8-22-46)60-45-61-58-30-16-19-33-64(58)72(51-27-13-6-14-28-51)67(61)68-66(60)59-31-17-20-34-65(59)73-68;1-6-22-46(23-7-1)47-38-40-53(41-39-47)67(50-26-10-3-11-27-50)54-42-49(43-55(44-54)68(51-28-12-4-13-29-51)61-35-19-16-32-56(61)48-24-8-2-9-25-48)59-45-60-57-33-17-20-36-62(57)69(52-30-14-5-15-31-52)65(60)66-64(59)58-34-18-21-37-63(58)70-66;1-6-21-46(22-7-1)48-37-39-54(40-38-48)67(51-26-10-3-11-27-51)56-42-50(43-57(44-56)68(52-28-12-4-13-29-52)55-32-20-25-49(41-55)47-23-8-2-9-24-47)60-45-61-58-33-16-18-35-62(58)69(53-30-14-5-15-31-53)65(61)66-64(60)59-34-17-19-36-63(59)70-66;1-5-19-44(20-6-1)46-33-36-52(37-34-46)65(49-23-7-2-8-24-49)54-40-48(41-55(42-54)66(50-25-9-3-10-26-50)53-38-35-45-21-13-14-22-47(45)39-53)58-43-59-56-29-15-17-31-60(56)67(51-27-11-4-12-28-51)63(59)64-62(58)57-30-16-18-32-61(57)68-64;;;;;;/h1-53H;1-47H;3-45H,1-2H3;1-45H;1-43,45,56H,44H2;1-43H;6*1H4
InChIKeyHBMHZMPZEVCTGD-UHFFFAOYSA-N
MW5799.61 g/mol
LogP121.45
Rot. Bonds59

About 3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine

3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 158429552) has the molecular formula C420H308N18S6 and a molecular weight of 5799.61 g/mol. Its IUPAC name is 3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
PubChem CID158429552
Molecular FormulaC420H308N18S6
Molecular Weight5799.61 g/mol
Exact Mass5794.30
IUPAC Name3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESC.C.C.C.C.C.C1=C(c2cc3c4ccccc4n(-c4ccccc4)c3c3sc4ccccc4c23)C=C(N(c2ccccc2)c2cccc(-c3ccccc3)c2)CC1N(c1ccccc1)c1ccc(-c2ccccc2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccccc4)c4ccc5ccccc5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccccc4)c4ccccc4-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C79H53N3S.C70H47N3S.C69H49N3S.C66H45N3S.C66H47N3S.C64H43N3S.6CH4/c1-7-25-54(26-8-1)55-43-45-62(46-44-55)80(59-31-13-4-14-32-59)64-49-56(70-53-71-68-38-20-23-41-74(68)82(61-35-17-6-18-36-61)77(71)78-76(70)69-39-21-24-42-75(69)83-78)50-65(51-64)81(60-33-15-5-16-34-60)63-47-48-67-66-37-19-22-40-72(66)79(73(67)52-63,57-27-9-2-10-28-57)58-29-11-3-12-30-58;1-5-20-48(21-6-1)49-36-40-56(41-37-49)71(53-24-7-2-8-25-53)58-44-52(45-59(46-58)72(54-26-9-3-10-27-54)57-42-38-51(39-43-57)61-33-19-23-50-22-13-14-30-60(50)61)64-47-65-62-31-15-17-34-66(62)73(55-28-11-4-12-29-55)69(65)70-68(64)63-32-16-18-35-67(63)74-70;1-69(2)62-32-18-15-29-56(62)57-40-39-53(44-63(57)69)71(50-25-11-5-12-26-50)55-42-48(41-54(43-55)70(49-23-9-4-10-24-49)52-37-35-47(36-38-52)46-21-7-3-8-22-46)60-45-61-58-30-16-19-33-64(58)72(51-27-13-6-14-28-51)67(61)68-66(60)59-31-17-20-34-65(59)73-68;1-6-22-46(23-7-1)47-38-40-53(41-39-47)67(50-26-10-3-11-27-50)54-42-49(43-55(44-54)68(51-28-12-4-13-29-51)61-35-19-16-32-56(61)48-24-8-2-9-25-48)59-45-60-57-33-17-20-36-62(57)69(52-30-14-5-15-31-52)65(60)66-64(59)58-34-18-21-37-63(58)70-66;1-6-21-46(22-7-1)48-37-39-54(40-38-48)67(51-26-10-3-11-27-51)56-42-50(43-57(44-56)68(52-28-12-4-13-29-52)55-32-20-25-49(41-55)47-23-8-2-9-24-47)60-45-61-58-33-16-18-35-62(58)69(53-30-14-5-15-31-53)65(61)66-64(60)59-34-17-19-36-63(59)70-66;1-5-19-44(20-6-1)46-33-36-52(37-34-46)65(49-23-7-2-8-24-49)54-40-48(41-55(42-54)66(50-25-9-3-10-26-50)53-38-35-45-21-13-14-22-47(45)39-53)58-43-59-56-29-15-17-31-60(56)67(51-27-11-4-12-28-51)63(59)64-62(58)57-30-16-18-32-61(57)68-64;;;;;;/h1-53H;1-47H;3-45H,1-2H3;1-45H;1-43,45,56H,44H2;1-43H;6*1H4
InChIKeyHBMHZMPZEVCTGD-UHFFFAOYSA-N
XLogP121.45
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds59
Heavy Atoms444
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005799.61
LogP ≤ 5121.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine (CID 158429552) is 3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine is C.C.C.C.C.C.C1=C(c2cc3c4ccccc4n(-c4ccccc4)c3c3sc4ccccc4c23)C=C(N(c2ccccc2)c2cccc(-c3ccccc3)c2)CC1N(c1ccccc1)c1ccc(-c2ccccc2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccccc4)c4ccc5ccccc5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccccc4)c4ccccc4-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is HBMHZMPZEVCTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H53N3S.C70H47N3S.C69H49N3S.C66H45N3S.C66H47N3S.C64H43N3S.6CH4/c1-7-25-54(26-8-1)55-43-45-62(46-44-55)80(59-31-13-4-14-32-59)64-49-56(70-53-71-68-38-20-23-41-74(68)82(61-35-17-6-18-36-61)77(71)78-76(70)69-39-21-24-42-75(69)83-78)50-65(51-64)81(60-33-15-5-16-34-60)63-47-48-67-66-37-19-22-40-72(66)79(73(67)52-63,57-27-9-2-10-28-57)58-29-11-3-12-30-58;1-5-20-48(21-6-1)49-36-40-56(41-37-49)71(53-24-7-2-8-25-53)58-44-52(45-59(46-58)72(54-26-9-3-10-27-54)57-42-38-51(39-43-57)61-33-19-23-50-22-13-14-30-60(50)61)64-47-65-62-31-15-17-34-66(62)73(55-28-11-4-12-29-55)69(65)70-68(64)63-32-16-18-35-67(63)74-70;1-69(2)62-32-18-15-29-56(62)57-40-39-53(44-63(57)69)71(50-25-11-5-12-26-50)55-42-48(41-54(43-55)70(49-23-9-4-10-24-49)52-37-35-47(36-38-52)46-21-7-3-8-22-46)60-45-61-58-30-16-19-33-64(58)72(51-27-13-6-14-28-51)67(61)68-66(60)59-31-17-20-34-65(59)73-68;1-6-22-46(23-7-1)47-38-40-53(41-39-47)67(50-26-10-3-11-27-50)54-42-49(43-55(44-54)68(51-28-12-4-13-29-51)61-35-19-16-32-56(61)48-24-8-2-9-25-48)59-45-60-57-33-17-20-36-62(57)69(52-30-14-5-15-31-52)65(60)66-64(59)58-34-18-21-37-63(58)70-66;1-6-21-46(22-7-1)48-37-39-54(40-38-48)67(51-26-10-3-11-27-51)56-42-50(43-57(44-56)68(52-28-12-4-13-29-52)55-32-20-25-49(41-55)47-23-8-2-9-24-47)60-45-61-58-33-16-18-35-62(58)69(53-30-14-5-15-31-53)65(61)66-64(60)59-34-17-19-36-63(59)70-66;1-5-19-44(20-6-1)46-33-36-52(37-34-46)65(49-23-7-2-8-24-49)54-40-48(41-55(42-54)66(50-25-9-3-10-26-50)53-38-35-45-21-13-14-22-47(45)39-53)58-43-59-56-29-15-17-31-60(56)67(51-27-11-4-12-28-51)63(59)64-62(58)57-30-16-18-32-61(57)68-64;;;;;;/h1-53H;1-47H;3-45H,1-2H3;1-45H;1-43,45,56H,44H2;1-43H;6*1H4.
What are the key properties of 3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 5799.61 g/mol, XLogP of 121.45, 59 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 158429552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).