N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline

C292H216N20S6 — CID 159430472

IUPACN,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3cscc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2cscc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3cscc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2cscc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3-c3cscc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc3-c3cscc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3N(c3ccc(-c4ccccn4)cn3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3N(c3ncc(-c4ncccn4)cn3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C110H83N5S4.C68H49N3S2.C58H43N5.C56H41N7/c1-110(2,3)84-54-64-97(65-55-84)115(108-66-52-82(104-74-116-70-100(104)78-44-56-93(57-45-78)111(85-28-12-4-13-29-85)86-30-14-5-15-31-86)68-98(108)106-76-118-72-102(106)80-48-60-95(61-49-80)113(89-36-20-8-21-37-89)90-38-22-9-23-39-90)109-67-53-83(105-75-117-71-101(105)79-46-58-94(59-47-79)112(87-32-16-6-17-33-87)88-34-18-7-19-35-88)69-99(109)107-77-119-73-103(107)81-50-62-96(63-51-81)114(91-40-24-10-25-41-91)92-42-26-11-27-43-92;1-6-20-50(21-7-1)51-34-40-60(41-35-51)71(67-32-18-16-30-61(67)65-48-72-46-63(65)52-36-42-58(43-37-52)69(54-22-8-2-9-23-54)55-24-10-3-11-25-55)68-33-19-17-31-62(68)66-49-73-47-64(66)53-38-44-59(45-39-53)70(56-26-12-4-13-27-56)57-28-14-5-15-29-57;1-5-19-47(20-6-1)61(48-21-7-2-8-22-48)51-37-32-44(33-38-51)53-27-13-15-30-56(53)63(58-41-36-46(43-60-58)55-29-17-18-42-59-55)57-31-16-14-28-54(57)45-34-39-52(40-35-45)62(49-23-9-3-10-24-49)50-25-11-4-12-26-50;1-5-18-45(19-6-1)61(46-20-7-2-8-21-46)49-34-30-42(31-35-49)51-26-13-15-28-53(51)63(56-59-40-44(41-60-56)55-57-38-17-39-58-55)54-29-16-14-27-52(54)43-32-36-50(37-33-43)62(47-22-9-3-10-23-47)48-24-11-4-12-25-48/h4-77H,1-3H3;1-49H;1-43H;1-41H
InChIKeyLQXOUMJYXFQZJX-UHFFFAOYSA-N
MW4197.48 g/mol
LogP85.03
Rot. Bonds61

About N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline

N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 159430472) has the molecular formula C292H216N20S6 and a molecular weight of 4197.48 g/mol. Its IUPAC name is N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID159430472
Molecular FormulaC292H216N20S6
Molecular Weight4197.48 g/mol
Exact Mass4193.58
IUPAC NameN,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3cscc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2cscc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3cscc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2cscc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3-c3cscc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc3-c3cscc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3N(c3ccc(-c4ccccn4)cn3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3N(c3ncc(-c4ncccn4)cn3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C110H83N5S4.C68H49N3S2.C58H43N5.C56H41N7/c1-110(2,3)84-54-64-97(65-55-84)115(108-66-52-82(104-74-116-70-100(104)78-44-56-93(57-45-78)111(85-28-12-4-13-29-85)86-30-14-5-15-31-86)68-98(108)106-76-118-72-102(106)80-48-60-95(61-49-80)113(89-36-20-8-21-37-89)90-38-22-9-23-39-90)109-67-53-83(105-75-117-71-101(105)79-46-58-94(59-47-79)112(87-32-16-6-17-33-87)88-34-18-7-19-35-88)69-99(109)107-77-119-73-103(107)81-50-62-96(63-51-81)114(91-40-24-10-25-41-91)92-42-26-11-27-43-92;1-6-20-50(21-7-1)51-34-40-60(41-35-51)71(67-32-18-16-30-61(67)65-48-72-46-63(65)52-36-42-58(43-37-52)69(54-22-8-2-9-23-54)55-24-10-3-11-25-55)68-33-19-17-31-62(68)66-49-73-47-64(66)53-38-44-59(45-39-53)70(56-26-12-4-13-27-56)57-28-14-5-15-29-57;1-5-19-47(20-6-1)61(48-21-7-2-8-22-48)51-37-32-44(33-38-51)53-27-13-15-30-56(53)63(58-41-36-46(43-60-58)55-29-17-18-42-59-55)57-31-16-14-28-54(57)45-34-39-52(40-35-45)62(49-23-9-3-10-24-49)50-25-11-4-12-26-50;1-5-18-45(19-6-1)61(46-20-7-2-8-21-46)49-34-30-42(31-35-49)51-26-13-15-28-53(51)63(56-59-40-44(41-60-56)55-57-38-17-39-58-55)54-29-16-14-27-52(54)43-32-36-50(37-33-43)62(47-22-9-3-10-23-47)48-24-11-4-12-25-48/h4-77H,1-3H3;1-49H;1-43H;1-41H
InChIKeyLQXOUMJYXFQZJX-UHFFFAOYSA-N
XLogP85.03
TPSA122.70 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds61
Heavy Atoms318
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004197.48
LogP ≤ 585.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline (CID 159430472) is N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline is CC(C)(C)c1ccc(N(c2ccc(-c3cscc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2cscc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3cscc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2cscc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3-c3cscc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccccc3-c3cscc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3N(c3ccc(-c4ccccn4)cn3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3N(c3ncc(-c4ncccn4)cn3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is LQXOUMJYXFQZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H83N5S4.C68H49N3S2.C58H43N5.C56H41N7/c1-110(2,3)84-54-64-97(65-55-84)115(108-66-52-82(104-74-116-70-100(104)78-44-56-93(57-45-78)111(85-28-12-4-13-29-85)86-30-14-5-15-31-86)68-98(108)106-76-118-72-102(106)80-48-60-95(61-49-80)113(89-36-20-8-21-37-89)90-38-22-9-23-39-90)109-67-53-83(105-75-117-71-101(105)79-46-58-94(59-47-79)112(87-32-16-6-17-33-87)88-34-18-7-19-35-88)69-99(109)107-77-119-73-103(107)81-50-62-96(63-51-81)114(91-40-24-10-25-41-91)92-42-26-11-27-43-92;1-6-20-50(21-7-1)51-34-40-60(41-35-51)71(67-32-18-16-30-61(67)65-48-72-46-63(65)52-36-42-58(43-37-52)69(54-22-8-2-9-23-54)55-24-10-3-11-25-55)68-33-19-17-31-62(68)66-49-73-47-64(66)53-38-44-59(45-39-53)70(56-26-12-4-13-27-56)57-28-14-5-15-29-57;1-5-19-47(20-6-1)61(48-21-7-2-8-22-48)51-37-32-44(33-38-51)53-27-13-15-30-56(53)63(58-41-36-46(43-60-58)55-29-17-18-42-59-55)57-31-16-14-28-54(57)45-34-39-52(40-35-45)62(49-23-9-3-10-24-49)50-25-11-4-12-26-50;1-5-18-45(19-6-1)61(46-20-7-2-8-21-46)49-34-30-42(31-35-49)51-26-13-15-28-53(51)63(56-59-40-44(41-60-56)55-57-38-17-39-58-55)54-29-16-14-27-52(54)43-32-36-50(37-33-43)62(47-22-9-3-10-23-47)48-24-11-4-12-25-48/h4-77H,1-3H3;1-49H;1-43H;1-41H.
What are the key properties of N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline?
N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 4197.48 g/mol, XLogP of 85.03, 61 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 159430472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).