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

C323H226N20O4S5 — CID 163486260

IUPAC2-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
SMILESc1ccc(-c2ccc(N(c3cccnc3)c3ccc4c(c3)sc3c(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)cc34)cc2)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3sc4cc(N(c5ccccc5)c5cccc6c5c5ccccc5n6-c5ccccc5)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc(N(c4ccccc4)c4ccccc4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc(N(c4ccccc4)c4ccccc4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2c(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)cc23)cc1
InChIInChI=1S/C60H42N4S.C54H37N3O2.2C54H37N3OS.C53H38N4S.C48H35N3S/c1-7-22-43(23-8-1)61(44-24-9-2-10-25-44)50-40-53-51-39-38-49(42-58(51)65-60(53)57(41-50)62(45-26-11-3-12-27-45)46-28-13-4-14-29-46)63(47-30-15-5-16-31-47)55-36-21-37-56-59(55)52-34-19-20-35-54(52)64(56)48-32-17-6-18-33-48;1-6-18-38(19-7-1)55(39-20-8-2-9-21-39)43-31-33-48-49-34-45(35-50(54(49)59-53(48)37-43)57(41-24-12-4-13-25-41)42-26-14-5-15-27-42)56(40-22-10-3-11-23-40)44-30-32-47-46-28-16-17-29-51(46)58-52(47)36-44;1-6-18-38(19-7-1)55(39-20-8-2-9-21-39)44-30-32-46-49-35-45(56(40-22-10-3-11-23-40)41-24-12-4-13-25-41)36-50(54(49)58-51(46)37-44)57(42-26-14-5-15-27-42)43-31-33-53-48(34-43)47-28-16-17-29-52(47)59-53;1-6-18-38(19-7-1)55(39-20-8-2-9-21-39)44-30-32-47-49-35-45(56(40-22-10-3-11-23-40)41-24-12-4-13-25-41)36-50(54(49)59-53(47)37-44)57(42-26-14-5-15-27-42)43-31-33-52-48(34-43)46-28-16-17-29-51(46)58-52;1-6-17-39(18-7-1)40-28-30-45(31-29-40)56(47-27-16-34-54-38-47)46-32-33-49-50-35-48(55(41-19-8-2-9-20-41)42-21-10-3-11-22-42)36-51(53(50)58-52(49)37-46)57(43-23-12-4-13-24-43)44-25-14-5-15-26-44;1-7-19-36(20-8-1)49(37-21-9-2-10-22-37)42-31-32-44-45-33-43(50(38-23-11-3-12-24-38)39-25-13-4-14-26-39)34-46(48(45)52-47(44)35-42)51(40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-42H;3*1-37H;1-38H;1-35H
InChIKeyCIUINRZMSKJONM-UHFFFAOYSA-N
MW4611.83 g/mol
LogP96.17
Rot. Bonds56

About 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

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 (PubChem CID 163486260) has the molecular formula C323H226N20O4S5 and a molecular weight of 4611.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID163486260
Molecular FormulaC323H226N20O4S5
Molecular Weight4611.83 g/mol
Exact Mass4607.67
IUPAC Name2-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
SMILESc1ccc(-c2ccc(N(c3cccnc3)c3ccc4c(c3)sc3c(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)cc34)cc2)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3sc4cc(N(c5ccccc5)c5cccc6c5c5ccccc5n6-c5ccccc5)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc(N(c4ccccc4)c4ccccc4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc(N(c4ccccc4)c4ccccc4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2c(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)cc23)cc1
InChIInChI=1S/C60H42N4S.C54H37N3O2.2C54H37N3OS.C53H38N4S.C48H35N3S/c1-7-22-43(23-8-1)61(44-24-9-2-10-25-44)50-40-53-51-39-38-49(42-58(51)65-60(53)57(41-50)62(45-26-11-3-12-27-45)46-28-13-4-14-29-46)63(47-30-15-5-16-31-47)55-36-21-37-56-59(55)52-34-19-20-35-54(52)64(56)48-32-17-6-18-33-48;1-6-18-38(19-7-1)55(39-20-8-2-9-21-39)43-31-33-48-49-34-45(35-50(54(49)59-53(48)37-43)57(41-24-12-4-13-25-41)42-26-14-5-15-27-42)56(40-22-10-3-11-23-40)44-30-32-47-46-28-16-17-29-51(46)58-52(47)36-44;1-6-18-38(19-7-1)55(39-20-8-2-9-21-39)44-30-32-46-49-35-45(56(40-22-10-3-11-23-40)41-24-12-4-13-25-41)36-50(54(49)58-51(46)37-44)57(42-26-14-5-15-27-42)43-31-33-53-48(34-43)47-28-16-17-29-52(47)59-53;1-6-18-38(19-7-1)55(39-20-8-2-9-21-39)44-30-32-47-49-35-45(56(40-22-10-3-11-23-40)41-24-12-4-13-25-41)36-50(54(49)59-53(47)37-44)57(42-26-14-5-15-27-42)43-31-33-52-48(34-43)46-28-16-17-29-51(46)58-52;1-6-17-39(18-7-1)40-28-30-45(31-29-40)56(47-27-16-34-54-38-47)46-32-33-49-50-35-48(55(41-19-8-2-9-20-41)42-21-10-3-11-22-42)36-51(53(50)58-52(49)37-46)57(43-23-12-4-13-24-43)44-25-14-5-15-26-44;1-7-19-36(20-8-1)49(37-21-9-2-10-22-37)42-31-32-44-45-33-43(50(38-23-11-3-12-24-38)39-25-13-4-14-26-39)34-46(48(45)52-47(44)35-42)51(40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-42H;3*1-37H;1-38H;1-35H
InChIKeyCIUINRZMSKJONM-UHFFFAOYSA-N
XLogP96.17
TPSA128.70 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds56
Heavy Atoms352
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004611.83
LogP ≤ 596.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 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 with MolForge

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Launch Full Analysis

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-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159292400
1-N-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-1-N-phenylbenzene-1,3-diamine;3-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-3-N-dibenzothiophen-2-yl-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-1-N,1-N-diphenylbenzene-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,1-N,3-N-triphenyl-3-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]benzene-1,3-diamine
CID 160796602
2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 157139341
N-[4-[19-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]phenyl]-N-phenyldibenzothiophen-2-amine;6-N,20-N-di(dibenzofuran-4-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6-N,20-N-di(dibenzothiophen-3-yl)-6-N,20-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;N-[4-(10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 163670822
8-(9-dibenzothiophen-4-ylcarbazol-1-yl)-2-N,2-N,4-N,4-N-tetraphenyldibenzofuran-2,4-diamine;4-N-dibenzothiophen-2-yl-4-N-dibenzothiophen-3-yl-8-(9,9-dimethylfluoren-1-yl)-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,4-diamine;8-(9,9-dimethylfluoren-1-yl)-2-N,2-N,4-N,4-N-tetraphenyldibenzothiophene-2,4-diamine;2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)-8-(9-pyridin-3-ylcarbazol-1-yl)dibenzofuran-2,4-diamine
CID 158064287
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
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163713073
3-N-dibenzofuran-4-yl-1-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]benzene-1,3-diamine
CID 149109551
4-N,4-N-diphenyl-2-N-[2-(N-phenylanilino)dibenzothiophen-4-yl]-2-N-(4-phenylphenyl)dibenzofuran-2,4-diamine
CID 146550866
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 158890240
N-[3-[2-[3-[dibenzofuran-2-yl(naphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine;N-[4-[3-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine;N-[3-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[3-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165072526

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3cccnc3)c3ccc4c(c3)sc3c(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)cc34)cc2)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3sc4cc(N(c5ccccc5)c5cccc6c5c5ccccc5n6-c5ccccc5)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc(N(c4ccccc4)c4ccccc4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2c(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc(N(c4ccccc4)c4ccccc4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2c(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)cc23)cc1.
What is the InChIKey of 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?
The InChIKey is CIUINRZMSKJONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4S.C54H37N3O2.2C54H37N3OS.C53H38N4S.C48H35N3S/c1-7-22-43(23-8-1)61(44-24-9-2-10-25-44)50-40-53-51-39-38-49(42-58(51)65-60(53)57(41-50)62(45-26-11-3-12-27-45)46-28-13-4-14-29-46)63(47-30-15-5-16-31-47)55-36-21-37-56-59(55)52-34-19-20-35-54(52)64(56)48-32-17-6-18-33-48;1-6-18-38(19-7-1)55(39-20-8-2-9-21-39)43-31-33-48-49-34-45(35-50(54(49)59-53(48)37-43)57(41-24-12-4-13-25-41)42-26-14-5-15-27-42)56(40-22-10-3-11-23-40)44-30-32-47-46-28-16-17-29-51(46)58-52(47)36-44;1-6-18-38(19-7-1)55(39-20-8-2-9-21-39)44-30-32-46-49-35-45(56(40-22-10-3-11-23-40)41-24-12-4-13-25-41)36-50(54(49)58-51(46)37-44)57(42-26-14-5-15-27-42)43-31-33-53-48(34-43)47-28-16-17-29-52(47)59-53;1-6-18-38(19-7-1)55(39-20-8-2-9-21-39)44-30-32-47-49-35-45(56(40-22-10-3-11-23-40)41-24-12-4-13-25-41)36-50(54(49)59-53(47)37-44)57(42-26-14-5-15-27-42)43-31-33-52-48(34-43)46-28-16-17-29-51(46)58-52;1-6-17-39(18-7-1)40-28-30-45(31-29-40)56(47-27-16-34-54-38-47)46-32-33-49-50-35-48(55(41-19-8-2-9-20-41)42-21-10-3-11-22-42)36-51(53(50)58-52(49)37-46)57(43-23-12-4-13-24-43)44-25-14-5-15-26-44;1-7-19-36(20-8-1)49(37-21-9-2-10-22-37)42-31-32-44-45-33-43(50(38-23-11-3-12-24-38)39-25-13-4-14-26-39)34-46(48(45)52-47(44)35-42)51(40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-42H;3*1-37H;1-38H;1-35H.
What are the key properties of 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?
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 has a molecular weight of 4611.83 g/mol, XLogP of 96.17, 56 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163486260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).