1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine

C414H292N18O4S2 — CID 160604372

IUPAC1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
SMILESCc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)cc3)cc(N(c3ccccc3)c3cccc(C)c3)c2)c1.Cc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc(C)c3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)c1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccccc4)c4ccc(-c5ccc6oc7ccc(-c8ccccc8)cc7c6c5)cc4)c3)cc2)cc1.c1ccc(-c2ccc3sc4ccc(-c5ccc(N(c6ccccc6)c6cc(N(c7ccccc7)c7cccc8ccccc78)cc(N(c7ccccc7)c7cccc8ccccc78)c6)cc5)cc4c3c2)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C78H53N3S.C72H51N3O.C68H49N3O.C68H47N3S.C66H45N3O.C62H47N3O/c1-5-19-54(20-6-1)56-33-40-62(41-34-56)79(60-23-9-3-10-24-60)66-50-67(80(61-25-11-4-12-26-61)63-42-35-57(36-43-63)55-21-7-2-8-22-55)52-68(51-66)81(65-46-47-73-71-29-14-13-27-69(71)70-28-15-16-30-72(70)75(73)53-65)64-44-37-58(38-45-64)59-39-48-78-76(49-59)74-31-17-18-32-77(74)82-78;1-7-19-52(20-8-1)55-31-39-63(40-32-55)73(60-25-13-4-14-26-60)66-49-67(74(61-27-15-5-16-28-61)64-41-33-56(34-42-64)53-21-9-2-10-22-53)51-68(50-66)75(62-29-17-6-18-30-62)65-43-35-57(36-44-65)59-38-46-72-70(48-59)69-47-58(37-45-71(69)76-72)54-23-11-3-12-24-54;1-46-17-15-23-53(39-46)69(50-19-5-3-6-20-50)56-42-57(70(51-21-7-4-8-22-51)54-24-16-18-47(2)40-54)44-58(43-56)71(55-36-37-63-61-27-10-9-25-59(61)60-26-11-12-28-62(60)65(63)45-55)52-34-31-48(32-35-52)49-33-38-68-66(41-49)64-29-13-14-30-67(64)72-68;1-5-19-48(20-6-1)52-37-41-67-63(43-52)64-44-53(38-42-68(64)72-67)49-35-39-57(40-36-49)69(54-25-7-2-8-26-54)58-45-59(70(55-27-9-3-10-28-55)65-33-17-23-50-21-13-15-31-61(50)65)47-60(46-58)71(56-29-11-4-12-30-56)66-34-18-24-51-22-14-16-32-62(51)66;1-5-19-48(20-6-1)67(49-21-7-2-8-22-49)54-42-55(68(50-23-9-3-10-24-50)51-25-11-4-12-26-51)44-56(43-54)69(53-38-39-61-59-29-14-13-27-57(59)58-28-15-16-30-60(58)63(61)45-53)52-36-33-46(34-37-52)47-35-40-66-64(41-47)62-31-17-18-32-65(62)70-66;1-44-17-15-27-54(37-44)64(51-23-11-5-12-24-51)57-41-56(42-58(43-57)65(52-25-13-6-14-26-52)55-28-16-18-45(2)38-55)63(50-21-9-4-10-22-50)53-33-29-47(30-34-53)49-32-36-62-60(40-49)59-39-48(31-35-61(59)66-62)46-19-7-3-8-20-46/h1-53H;1-51H;3-45H,1-2H3;1-47H;1-45H;3-43H,1-2H3
InChIKeyRERMDRSWIHYWSA-UHFFFAOYSA-N
MW5647.15 g/mol
LogP120.50
Rot. Bonds67

About 1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine

1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine (PubChem CID 160604372) has the molecular formula C414H292N18O4S2 and a molecular weight of 5647.15 g/mol. Its IUPAC name is 1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine.

Molecular Properties

Compound Name1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
PubChem CID160604372
Molecular FormulaC414H292N18O4S2
Molecular Weight5647.15 g/mol
Exact Mass5642.26
IUPAC Name1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
SMILESCc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)cc3)cc(N(c3ccccc3)c3cccc(C)c3)c2)c1.Cc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc(C)c3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)c1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccccc4)c4ccc(-c5ccc6oc7ccc(-c8ccccc8)cc7c6c5)cc4)c3)cc2)cc1.c1ccc(-c2ccc3sc4ccc(-c5ccc(N(c6ccccc6)c6cc(N(c7ccccc7)c7cccc8ccccc78)cc(N(c7ccccc7)c7cccc8ccccc78)c6)cc5)cc4c3c2)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C78H53N3S.C72H51N3O.C68H49N3O.C68H47N3S.C66H45N3O.C62H47N3O/c1-5-19-54(20-6-1)56-33-40-62(41-34-56)79(60-23-9-3-10-24-60)66-50-67(80(61-25-11-4-12-26-61)63-42-35-57(36-43-63)55-21-7-2-8-22-55)52-68(51-66)81(65-46-47-73-71-29-14-13-27-69(71)70-28-15-16-30-72(70)75(73)53-65)64-44-37-58(38-45-64)59-39-48-78-76(49-59)74-31-17-18-32-77(74)82-78;1-7-19-52(20-8-1)55-31-39-63(40-32-55)73(60-25-13-4-14-26-60)66-49-67(74(61-27-15-5-16-28-61)64-41-33-56(34-42-64)53-21-9-2-10-22-53)51-68(50-66)75(62-29-17-6-18-30-62)65-43-35-57(36-44-65)59-38-46-72-70(48-59)69-47-58(37-45-71(69)76-72)54-23-11-3-12-24-54;1-46-17-15-23-53(39-46)69(50-19-5-3-6-20-50)56-42-57(70(51-21-7-4-8-22-51)54-24-16-18-47(2)40-54)44-58(43-56)71(55-36-37-63-61-27-10-9-25-59(61)60-26-11-12-28-62(60)65(63)45-55)52-34-31-48(32-35-52)49-33-38-68-66(41-49)64-29-13-14-30-67(64)72-68;1-5-19-48(20-6-1)52-37-41-67-63(43-52)64-44-53(38-42-68(64)72-67)49-35-39-57(40-36-49)69(54-25-7-2-8-26-54)58-45-59(70(55-27-9-3-10-28-55)65-33-17-23-50-21-13-15-31-61(50)65)47-60(46-58)71(56-29-11-4-12-30-56)66-34-18-24-51-22-14-16-32-62(51)66;1-5-19-48(20-6-1)67(49-21-7-2-8-22-49)54-42-55(68(50-23-9-3-10-24-50)51-25-11-4-12-26-51)44-56(43-54)69(53-38-39-61-59-29-14-13-27-57(59)58-28-15-16-30-60(58)63(61)45-53)52-36-33-46(34-37-52)47-35-40-66-64(41-47)62-31-17-18-32-65(62)70-66;1-44-17-15-27-54(37-44)64(51-23-11-5-12-24-51)57-41-56(42-58(43-57)65(52-25-13-6-14-26-52)55-28-16-18-45(2)38-55)63(50-21-9-4-10-22-50)53-33-29-47(30-34-53)49-32-36-62-60(40-49)59-39-48(31-35-61(59)66-62)46-19-7-3-8-20-46/h1-53H;1-51H;3-45H,1-2H3;1-47H;1-45H;3-43H,1-2H3
InChIKeyRERMDRSWIHYWSA-UHFFFAOYSA-N
XLogP120.50
TPSA110.88 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds67
Heavy Atoms438
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005647.15
LogP ≤ 5120.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine?
The IUPAC name of 1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine (CID 160604372) is 1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine.
What is the SMILES notation for 1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine?
The canonical SMILES for 1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine is Cc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)cc3)cc(N(c3ccccc3)c3cccc(C)c3)c2)c1.Cc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc(C)c3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)c1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccccc4)c4ccc(-c5ccc6oc7ccc(-c8ccccc8)cc7c6c5)cc4)c3)cc2)cc1.c1ccc(-c2ccc3sc4ccc(-c5ccc(N(c6ccccc6)c6cc(N(c7ccccc7)c7cccc8ccccc78)cc(N(c7ccccc7)c7cccc8ccccc78)c6)cc5)cc4c3c2)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.
What is the InChIKey of 1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine?
The InChIKey is RERMDRSWIHYWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H53N3S.C72H51N3O.C68H49N3O.C68H47N3S.C66H45N3O.C62H47N3O/c1-5-19-54(20-6-1)56-33-40-62(41-34-56)79(60-23-9-3-10-24-60)66-50-67(80(61-25-11-4-12-26-61)63-42-35-57(36-43-63)55-21-7-2-8-22-55)52-68(51-66)81(65-46-47-73-71-29-14-13-27-69(71)70-28-15-16-30-72(70)75(73)53-65)64-44-37-58(38-45-64)59-39-48-78-76(49-59)74-31-17-18-32-77(74)82-78;1-7-19-52(20-8-1)55-31-39-63(40-32-55)73(60-25-13-4-14-26-60)66-49-67(74(61-27-15-5-16-28-61)64-41-33-56(34-42-64)53-21-9-2-10-22-53)51-68(50-66)75(62-29-17-6-18-30-62)65-43-35-57(36-44-65)59-38-46-72-70(48-59)69-47-58(37-45-71(69)76-72)54-23-11-3-12-24-54;1-46-17-15-23-53(39-46)69(50-19-5-3-6-20-50)56-42-57(70(51-21-7-4-8-22-51)54-24-16-18-47(2)40-54)44-58(43-56)71(55-36-37-63-61-27-10-9-25-59(61)60-26-11-12-28-62(60)65(63)45-55)52-34-31-48(32-35-52)49-33-38-68-66(41-49)64-29-13-14-30-67(64)72-68;1-5-19-48(20-6-1)52-37-41-67-63(43-52)64-44-53(38-42-68(64)72-67)49-35-39-57(40-36-49)69(54-25-7-2-8-26-54)58-45-59(70(55-27-9-3-10-28-55)65-33-17-23-50-21-13-15-31-61(50)65)47-60(46-58)71(56-29-11-4-12-30-56)66-34-18-24-51-22-14-16-32-62(51)66;1-5-19-48(20-6-1)67(49-21-7-2-8-22-49)54-42-55(68(50-23-9-3-10-24-50)51-25-11-4-12-26-51)44-56(43-54)69(53-38-39-61-59-29-14-13-27-57(59)58-28-15-16-30-60(58)63(61)45-53)52-36-33-46(34-37-52)47-35-40-66-64(41-47)62-31-17-18-32-65(62)70-66;1-44-17-15-27-54(37-44)64(51-23-11-5-12-24-51)57-41-56(42-58(43-57)65(52-25-13-6-14-26-52)55-28-16-18-45(2)38-55)63(50-21-9-4-10-22-50)53-33-29-47(30-34-53)49-32-36-62-60(40-49)59-39-48(31-35-61(59)66-62)46-19-7-3-8-20-46/h1-53H;1-51H;3-45H,1-2H3;1-47H;1-45H;3-43H,1-2H3.
What are the key properties of 1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine?
1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine has a molecular weight of 5647.15 g/mol, XLogP of 120.50, 67 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine is sourced from PubChem (CID 160604372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).