7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine

C282H188N20O3S3 — CID 163664701

IUPAC7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(N(c2ccc3cccnc3c2)c2ccc3c(c2)oc2c(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)ccc(N(c4ccccc4)c4cccc5ccccc45)c23)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc3sc4cc(-c5cccc(N(c6ccncc6)c6cnc7oc8ccccc8c7c6)c5)ccc4c23)cc1.c1ccc(N(c2ccccc2)c2cc3sc4ccc(-c5ccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7c8ncncc8n(-c8ccccc8)c7c6)cc5)cc4c3cc2-c2cccc3c(N(c4ccccc4)c4cccnc4)cccc23)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3cc(-c4ccccc4N(c4ccccc4)c4ccccc4)c4c(c3)oc3ccc(-c5cccc(N(c6ccccc6)c6ccc7ccccc7c6)c5)cc34)c2)cc1
InChIInChI=1S/C81H53N7S.C70H46N6OS.C70H49N3O.C61H40N4OS/c1-5-19-58(20-6-1)86(59-21-7-2-8-22-59)77-50-80-74(49-72(77)69-29-15-31-70-68(69)30-16-32-75(70)87(60-23-9-3-10-24-60)65-27-17-45-82-51-65)73-47-56(37-44-79(73)89-80)54-35-38-62(39-36-54)85(63-40-42-67-57(46-63)34-33-55-18-13-14-28-66(55)67)64-41-43-71-76(48-64)88(61-25-11-4-12-26-61)78-52-83-53-84-81(71)78;1-5-20-49(21-6-1)74(50-22-7-2-8-23-50)64-44-55(75(51-24-9-3-10-25-51)63-33-18-31-59-57-29-13-15-32-62(57)76(69(59)63)52-26-11-4-12-27-52)45-67-68(64)60-36-35-48(42-66(60)78-67)47-19-17-28-54(41-47)73(53-37-39-71-40-38-53)56-43-61-58-30-14-16-34-65(58)77-70(61)72-46-56;1-6-26-56(27-7-1)71(57-28-8-2-9-29-57)61-36-21-25-53(46-61)55-48-65(64-38-18-19-39-67(64)73(59-32-12-4-13-33-59)60-34-14-5-15-35-60)70-66-47-54(41-43-68(66)74-69(70)49-55)52-24-20-37-62(45-52)72(58-30-10-3-11-31-58)63-42-40-50-22-16-17-23-51(50)44-63;1-4-19-43(20-5-1)63(46-30-29-42-18-15-37-62-53(42)38-46)47-32-34-52-57(39-47)66-61-56(64(44-21-6-2-7-22-44)48-31-33-51-50-26-12-13-28-58(50)67-59(51)40-48)36-35-55(60(52)61)65(45-23-8-3-9-24-45)54-27-14-17-41-16-10-11-25-49(41)54/h1-53H;1-46H;1-49H;1-40H
InChIKeyIXJXCWNRFUOSTA-UHFFFAOYSA-N
MW4000.94 g/mol
LogP80.67
Rot. Bonds44

About 7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine

7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine (PubChem CID 163664701) has the molecular formula C282H188N20O3S3 and a molecular weight of 4000.94 g/mol. Its IUPAC name is 7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound Name7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine
PubChem CID163664701
Molecular FormulaC282H188N20O3S3
Molecular Weight4000.94 g/mol
Exact Mass3997.43
IUPAC Name7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(N(c2ccc3cccnc3c2)c2ccc3c(c2)oc2c(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)ccc(N(c4ccccc4)c4cccc5ccccc45)c23)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc3sc4cc(-c5cccc(N(c6ccncc6)c6cnc7oc8ccccc8c7c6)c5)ccc4c23)cc1.c1ccc(N(c2ccccc2)c2cc3sc4ccc(-c5ccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7c8ncncc8n(-c8ccccc8)c7c6)cc5)cc4c3cc2-c2cccc3c(N(c4ccccc4)c4cccnc4)cccc23)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3cc(-c4ccccc4N(c4ccccc4)c4ccccc4)c4c(c3)oc3ccc(-c5cccc(N(c6ccccc6)c6ccc7ccccc7c6)c5)cc34)c2)cc1
InChIInChI=1S/C81H53N7S.C70H46N6OS.C70H49N3O.C61H40N4OS/c1-5-19-58(20-6-1)86(59-21-7-2-8-22-59)77-50-80-74(49-72(77)69-29-15-31-70-68(69)30-16-32-75(70)87(60-23-9-3-10-24-60)65-27-17-45-82-51-65)73-47-56(37-44-79(73)89-80)54-35-38-62(39-36-54)85(63-40-42-67-57(46-63)34-33-55-18-13-14-28-66(55)67)64-41-43-71-76(48-64)88(61-25-11-4-12-26-61)78-52-83-53-84-81(71)78;1-5-20-49(21-6-1)74(50-22-7-2-8-23-50)64-44-55(75(51-24-9-3-10-25-51)63-33-18-31-59-57-29-13-15-32-62(57)76(69(59)63)52-26-11-4-12-27-52)45-67-68(64)60-36-35-48(42-66(60)78-67)47-19-17-28-54(41-47)73(53-37-39-71-40-38-53)56-43-61-58-30-14-16-34-65(58)77-70(61)72-46-56;1-6-26-56(27-7-1)71(57-28-8-2-9-29-57)61-36-21-25-53(46-61)55-48-65(64-38-18-19-39-67(64)73(59-32-12-4-13-33-59)60-34-14-5-15-35-60)70-66-47-54(41-43-68(66)74-69(70)49-55)52-24-20-37-62(45-52)72(58-30-10-3-11-31-58)63-42-40-50-22-16-17-23-51(50)44-63;1-4-19-43(20-5-1)63(46-30-29-42-18-15-37-62-53(42)38-46)47-32-34-52-57(39-47)66-61-56(64(44-21-6-2-7-22-44)48-31-33-51-50-26-12-13-28-58(50)67-59(51)40-48)36-35-55(60(52)61)65(45-23-8-3-9-24-45)54-27-14-17-41-16-10-11-25-49(41)54/h1-53H;1-46H;1-49H;1-40H
InChIKeyIXJXCWNRFUOSTA-UHFFFAOYSA-N
XLogP80.67
TPSA165.50 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds44
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004000.94
LogP ≤ 580.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine with MolForge

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Related Compounds

8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-2-N,2-N,4-N-triphenyl-4-N-(9-phenylcarbazol-2-yl)dibenzofuran-2,4-diamine;8-[4-[N-([1]benzothiolo[3,2-b]pyridin-8-yl)anilino]phenyl]-4-N-dibenzothiophen-3-yl-2-N-naphthalen-2-yl-2-N,4-N-diphenyldibenzofuran-2,4-diamine;10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzofuran-8,10-diamine;8-N,10-N-di(dibenzothiophen-3-yl)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-8-N,10-N-diphenylnaphtho[1,2-b][1]benzofuran-8,10-diamine
CID 159554767
N-dibenzofuran-2-yl-N-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine;N-dibenzofuran-4-yl-N-naphthalen-1-yl-6-(9-pyridin-3-ylcarbazol-3-yl)pyridin-3-amine;N-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyridin-3-amine;N-phenyl-N-[4-(9-pyridin-4-ylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 158224179
1-N-dibenzofuran-4-yl-3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[2-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]phenyl]benzene-1,3-diamine;3-N-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]benzene-1,3-diamine
CID 159360188
3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine
CID 159660047
N-naphthalen-1-yl-8-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]naphthalen-1-amine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-(N-(6-phenyldibenzofuran-3-yl)anilino)phenyl]benzene-1,3-diamine
CID 158069740
2-N-dibenzofuran-3-yl-2-N,4-N,4-N,7-N,7-N-pentakis-phenyldibenzofuran-2,4,7-triamine;4-N-dibenzofuran-2-yl-2-N,2-N,4-N,7-N,7-N-pentakis-phenyldibenzothiophene-2,4,7-triamine;4-N-dibenzothiophen-2-yl-2-N,2-N,4-N,7-N,7-N-pentakis-phenyldibenzofuran-2,4,7-triamine;2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenyldibenzothiophene-2,4,7-triamine;2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-4-yl)dibenzothiophene-2,4,7-triamine;2-N,2-N,4-N,4-N-tetraphenyl-7-N-(4-phenylphenyl)-7-N-pyridin-3-yldibenzothiophene-2,4,7-triamine
CID 163486260
N,N-bis(4-phenylphenyl)-8-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine;N-dibenzofuran-2-yl-N-phenyl-5-(9-phenylcarbazol-2-yl)naphtho[1,2-b][1]benzofuran-9-amine;N-naphthalen-2-yl-8-(11-naphthalen-2-ylbenzo[a]carbazol-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-8-(9-naphthalen-1-ylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-phenyl-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-phenyl-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 161480522
N-dibenzofuran-4-yl-7-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-N-(4-phenylphenyl)phenanthren-3-amine;N,N-diphenyl-4-(9-phenylcarbazol-3-yl)aniline;2,3,4,5,6-pentadeuterio-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;9-phenyl-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)carbazol-3-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine;4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 158658895
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 162244796
N-dibenzofuran-3-yl-N,9-diphenylcarbazol-1-amine;N-dibenzothiophen-3-yl-N,9-diphenylcarbazol-1-amine;N,N-diphenyl-9-(4-phenylphenyl)carbazol-1-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-1-amine;N,7,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 165092289
N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-2-amine;N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
CID 165064934
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 163654631

Frequently Asked Questions

What is the IUPAC name of 7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine?
The IUPAC name of 7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine (CID 163664701) is 7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine.
What is the SMILES notation for 7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine?
The canonical SMILES for 7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine is c1ccc(N(c2ccc3cccnc3c2)c2ccc3c(c2)oc2c(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)ccc(N(c4ccccc4)c4cccc5ccccc45)c23)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc3sc4cc(-c5cccc(N(c6ccncc6)c6cnc7oc8ccccc8c7c6)c5)ccc4c23)cc1.c1ccc(N(c2ccccc2)c2cc3sc4ccc(-c5ccc(N(c6ccc7c(ccc8ccccc87)c6)c6ccc7c8ncncc8n(-c8ccccc8)c7c6)cc5)cc4c3cc2-c2cccc3c(N(c4ccccc4)c4cccnc4)cccc23)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3cc(-c4ccccc4N(c4ccccc4)c4ccccc4)c4c(c3)oc3ccc(-c5cccc(N(c6ccccc6)c6ccc7ccccc7c6)c5)cc34)c2)cc1.
What is the InChIKey of 7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine?
The InChIKey is IXJXCWNRFUOSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H53N7S.C70H46N6OS.C70H49N3O.C61H40N4OS/c1-5-19-58(20-6-1)86(59-21-7-2-8-22-59)77-50-80-74(49-72(77)69-29-15-31-70-68(69)30-16-32-75(70)87(60-23-9-3-10-24-60)65-27-17-45-82-51-65)73-47-56(37-44-79(73)89-80)54-35-38-62(39-36-54)85(63-40-42-67-57(46-63)34-33-55-18-13-14-28-66(55)67)64-41-43-71-76(48-64)88(61-25-11-4-12-26-61)78-52-83-53-84-81(71)78;1-5-20-49(21-6-1)74(50-22-7-2-8-23-50)64-44-55(75(51-24-9-3-10-25-51)63-33-18-31-59-57-29-13-15-32-62(57)76(69(59)63)52-26-11-4-12-27-52)45-67-68(64)60-36-35-48(42-66(60)78-67)47-19-17-28-54(41-47)73(53-37-39-71-40-38-53)56-43-61-58-30-14-16-34-65(58)77-70(61)72-46-56;1-6-26-56(27-7-1)71(57-28-8-2-9-29-57)61-36-21-25-53(46-61)55-48-65(64-38-18-19-39-67(64)73(59-32-12-4-13-33-59)60-34-14-5-15-35-60)70-66-47-54(41-43-68(66)74-69(70)49-55)52-24-20-37-62(45-52)72(58-30-10-3-11-31-58)63-42-40-50-22-16-17-23-51(50)44-63;1-4-19-43(20-5-1)63(46-30-29-42-18-15-37-62-53(42)38-46)47-32-34-52-57(39-47)66-61-56(64(44-21-6-2-7-22-44)48-31-33-51-50-26-12-13-28-58(50)67-59(51)40-48)36-35-55(60(52)61)65(45-23-8-3-9-24-45)54-27-14-17-41-16-10-11-25-49(41)54/h1-53H;1-46H;1-49H;1-40H.
What are the key properties of 7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine?
7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine has a molecular weight of 4000.94 g/mol, XLogP of 80.67, 44 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-4-yl)amino]phenyl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-1-yl)dibenzothiophene-1,3-diamine;4-N-dibenzothiophen-3-yl-1-N-naphthalen-1-yl-1-N,4-N,7-N-triphenyl-7-N-quinolin-7-yldibenzofuran-1,4,7-triamine;N-phenanthren-2-yl-5-phenyl-N-[4-[7-(N-phenylanilino)-8-[5-(N-pyridin-3-ylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]phenyl]pyrimido[5,4-b]indol-7-amine;N-phenyl-N-[3-[9-[2-(N-phenylanilino)phenyl]-7-[3-(N-phenylanilino)phenyl]dibenzofuran-2-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 163664701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).