bis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide

C356H332B4N16O28 — CID 158446548

IUPACbis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc([B-](c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)(c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(OC)cc6)cc5)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(N(c2ccc([B-](c3ccc(N(c4ccc(C)cc4OC)c4ccc(C)cc4OC)cc3)(c3ccc(N(c4ccc(C)cc4OC)c4ccc(OC)cc4OC)cc3)c3ccc(N(c4ccc(C)cc4OC)c4ccc(OC)cc4OC)cc3)cc2)c2ccc(OC)cc2OC)c(C)c1.COc1cccc(N(c2ccc([B-](c3ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc3)(c3ccc(N(c4cccc(OC)c4)c4cccc(OC)c4)cc3)c3ccc(N(c4cccc(OC)c4)c4cccc(OC)c4)cc3)cc2)c2cccc(OC)c2)c1.COc1ccccc1N(c1ccc([B-](c2ccc(N(c3ccccc3OC)c3ccccc3OC)cc2)(c2ccc(N(c3ccccc3OC)c3ccccc3OC)cc2)c2ccc(N(c3ccccc3OC)c3ccccc3OC)cc2)cc1)c1ccccc1C.[CH3+].[CH3+].[CH3+].[CH3+]
InChIInChI=1S/C104H88BN4O4.C88H88BN4O11.C80H72BN4O7.C80H72BN4O6.4CH3/c1-73-9-41-89(42-10-73)106(90-43-11-74(2)12-44-90)93-49-25-81(26-50-93)77-17-33-85(34-18-77)105(86-35-19-78(20-36-86)82-27-51-94(52-28-82)107(91-45-13-75(3)14-46-91)97-57-65-101(110-5)66-58-97,87-37-21-79(22-38-87)83-29-53-95(54-30-83)108(92-47-15-76(4)16-48-92)98-59-67-102(111-6)68-60-98)88-39-23-80(24-40-88)84-31-55-96(56-32-84)109(99-61-69-103(112-7)70-62-99)100-63-71-104(113-8)72-64-100;1-57-17-41-75(82(49-57)98-10)91(76-42-18-58(2)50-83(76)99-11)67-31-23-63(24-32-67)89(62-21-29-66(30-22-62)90(74-45-37-70(94-6)53-61(74)5)79-46-38-71(95-7)54-86(79)102-14,64-25-33-68(34-26-64)92(77-43-19-59(3)51-84(77)100-12)80-47-39-72(96-8)55-87(80)103-15)65-27-35-69(36-28-65)93(78-44-20-60(4)52-85(78)101-13)81-48-40-73(97-9)56-88(81)104-16;1-57-25-9-10-26-66(57)82(67-27-11-18-34-74(67)86-2)62-49-41-58(42-50-62)81(59-43-51-63(52-44-59)83(68-28-12-19-35-75(68)87-3)69-29-13-20-36-76(69)88-4,60-45-53-64(54-46-60)84(70-30-14-21-37-77(70)89-5)71-31-15-22-38-78(71)90-6)61-47-55-65(56-48-61)85(72-32-16-23-39-79(72)91-7)73-33-17-24-40-80(73)92-8;1-57-17-9-19-67(49-57)82(68-20-10-18-58(2)50-68)63-41-33-59(34-42-63)81(60-35-43-64(44-36-60)83(69-21-11-27-75(51-69)86-3)70-22-12-28-76(52-70)87-4,61-37-45-65(46-38-61)84(71-23-13-29-77(53-71)88-5)72-24-14-30-78(54-72)89-6)62-39-47-66(48-40-62)85(73-25-15-31-79(55-73)90-7)74-26-16-32-80(56-74)91-8;;;;/h9-72H,1-8H3;17-56H,1-16H3;9-56H,1-8H3;9-56H,1-8H3;4*1H3/q4*-1;4*+1
InChIKeyHDLPOZRVIZHIAB-UHFFFAOYSA-N
MW5325.90 g/mol
LogP80.18
Rot. Bonds96

About bis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide

bis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide (PubChem CID 158446548) has the molecular formula C356H332B4N16O28 and a molecular weight of 5325.90 g/mol. Its IUPAC name is bis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide.

Molecular Properties

Compound Namebis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide
PubChem CID158446548
Molecular FormulaC356H332B4N16O28
Molecular Weight5325.90 g/mol
Exact Mass5322.54
IUPAC Namebis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc([B-](c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)(c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(OC)cc6)cc5)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(N(c2ccc([B-](c3ccc(N(c4ccc(C)cc4OC)c4ccc(C)cc4OC)cc3)(c3ccc(N(c4ccc(C)cc4OC)c4ccc(OC)cc4OC)cc3)c3ccc(N(c4ccc(C)cc4OC)c4ccc(OC)cc4OC)cc3)cc2)c2ccc(OC)cc2OC)c(C)c1.COc1cccc(N(c2ccc([B-](c3ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc3)(c3ccc(N(c4cccc(OC)c4)c4cccc(OC)c4)cc3)c3ccc(N(c4cccc(OC)c4)c4cccc(OC)c4)cc3)cc2)c2cccc(OC)c2)c1.COc1ccccc1N(c1ccc([B-](c2ccc(N(c3ccccc3OC)c3ccccc3OC)cc2)(c2ccc(N(c3ccccc3OC)c3ccccc3OC)cc2)c2ccc(N(c3ccccc3OC)c3ccccc3OC)cc2)cc1)c1ccccc1C.[CH3+].[CH3+].[CH3+].[CH3+]
InChIInChI=1S/C104H88BN4O4.C88H88BN4O11.C80H72BN4O7.C80H72BN4O6.4CH3/c1-73-9-41-89(42-10-73)106(90-43-11-74(2)12-44-90)93-49-25-81(26-50-93)77-17-33-85(34-18-77)105(86-35-19-78(20-36-86)82-27-51-94(52-28-82)107(91-45-13-75(3)14-46-91)97-57-65-101(110-5)66-58-97,87-37-21-79(22-38-87)83-29-53-95(54-30-83)108(92-47-15-76(4)16-48-92)98-59-67-102(111-6)68-60-98)88-39-23-80(24-40-88)84-31-55-96(56-32-84)109(99-61-69-103(112-7)70-62-99)100-63-71-104(113-8)72-64-100;1-57-17-41-75(82(49-57)98-10)91(76-42-18-58(2)50-83(76)99-11)67-31-23-63(24-32-67)89(62-21-29-66(30-22-62)90(74-45-37-70(94-6)53-61(74)5)79-46-38-71(95-7)54-86(79)102-14,64-25-33-68(34-26-64)92(77-43-19-59(3)51-84(77)100-12)80-47-39-72(96-8)55-87(80)103-15)65-27-35-69(36-28-65)93(78-44-20-60(4)52-85(78)101-13)81-48-40-73(97-9)56-88(81)104-16;1-57-25-9-10-26-66(57)82(67-27-11-18-34-74(67)86-2)62-49-41-58(42-50-62)81(59-43-51-63(52-44-59)83(68-28-12-19-35-75(68)87-3)69-29-13-20-36-76(69)88-4,60-45-53-64(54-46-60)84(70-30-14-21-37-77(70)89-5)71-31-15-22-38-78(71)90-6)61-47-55-65(56-48-61)85(72-32-16-23-39-79(72)91-7)73-33-17-24-40-80(73)92-8;1-57-17-9-19-67(49-57)82(68-20-10-18-58(2)50-68)63-41-33-59(34-42-63)81(60-35-43-64(44-36-60)83(69-21-11-27-75(51-69)86-3)70-22-12-28-76(52-70)87-4,61-37-45-65(46-38-61)84(71-23-13-29-77(53-71)88-5)72-24-14-30-78(54-72)89-6)62-39-47-66(48-40-62)85(73-25-15-31-79(55-73)90-7)74-26-16-32-80(56-74)91-8;;;;/h9-72H,1-8H3;17-56H,1-16H3;9-56H,1-8H3;9-56H,1-8H3;4*1H3/q4*-1;4*+1
InChIKeyHDLPOZRVIZHIAB-UHFFFAOYSA-N
XLogP80.18
TPSA310.28 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds96
Heavy Atoms404
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005325.90
LogP ≤ 580.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze bis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide with MolForge

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Related Compounds

N-[4-[4-[4-(N-(3,5-dimethylphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;2-methoxy-N-[4-[4-[4-(4-methoxy-N-(2-methoxy-5-methylphenyl)-2-methylanilino)phenyl]phenyl]phenyl]-N-(4-methoxy-2-methylphenyl)-5-methylaniline;2-methoxy-N-[4-[4-[4-(N-(2-methoxy-5-methylphenyl)-2-methylanilino)phenyl]phenyl]phenyl]-5-methyl-N-(2-methylphenyl)aniline;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 161351986
tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide
CID 158446549
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 158435448
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-(3-methylphenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 162104792
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-[4-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-1-N-naphthalen-1-ylbenzene-1,4-diamine;1-N-(2-methoxyphenyl)-4-N-[4-[4-[4-(N-(2-methoxyphenyl)anilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(4-methyl-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino)phenyl]phenyl]-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine;1-N-(3-methylphenyl)-1-N-[4-[4-[N-(3-methylphenyl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 160896783
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
1-N,3-N-bis(3-methoxyphenyl)-1-N,3-N-bis(4-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 54275542
2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline
CID 14533990
N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline
CID 160641057
1-N-[4-[4-[N-(6-methoxynaphthalen-2-yl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-1-N-(6-methylnaphthalen-2-yl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 122533758

Frequently Asked Questions

What is the IUPAC name of bis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide?
The IUPAC name of bis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide (CID 158446548) is bis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide.
What is the SMILES notation for bis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide?
The canonical SMILES for bis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide is COc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc([B-](c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)(c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(OC)cc6)cc5)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(N(c2ccc([B-](c3ccc(N(c4ccc(C)cc4OC)c4ccc(C)cc4OC)cc3)(c3ccc(N(c4ccc(C)cc4OC)c4ccc(OC)cc4OC)cc3)c3ccc(N(c4ccc(C)cc4OC)c4ccc(OC)cc4OC)cc3)cc2)c2ccc(OC)cc2OC)c(C)c1.COc1cccc(N(c2ccc([B-](c3ccc(N(c4cccc(C)c4)c4cccc(C)c4)cc3)(c3ccc(N(c4cccc(OC)c4)c4cccc(OC)c4)cc3)c3ccc(N(c4cccc(OC)c4)c4cccc(OC)c4)cc3)cc2)c2cccc(OC)c2)c1.COc1ccccc1N(c1ccc([B-](c2ccc(N(c3ccccc3OC)c3ccccc3OC)cc2)(c2ccc(N(c3ccccc3OC)c3ccccc3OC)cc2)c2ccc(N(c3ccccc3OC)c3ccccc3OC)cc2)cc1)c1ccccc1C.[CH3+].[CH3+].[CH3+].[CH3+].
What is the InChIKey of bis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide?
The InChIKey is HDLPOZRVIZHIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H88BN4O4.C88H88BN4O11.C80H72BN4O7.C80H72BN4O6.4CH3/c1-73-9-41-89(42-10-73)106(90-43-11-74(2)12-44-90)93-49-25-81(26-50-93)77-17-33-85(34-18-77)105(86-35-19-78(20-36-86)82-27-51-94(52-28-82)107(91-45-13-75(3)14-46-91)97-57-65-101(110-5)66-58-97,87-37-21-79(22-38-87)83-29-53-95(54-30-83)108(92-47-15-76(4)16-48-92)98-59-67-102(111-6)68-60-98)88-39-23-80(24-40-88)84-31-55-96(56-32-84)109(99-61-69-103(112-7)70-62-99)100-63-71-104(113-8)72-64-100;1-57-17-41-75(82(49-57)98-10)91(76-42-18-58(2)50-83(76)99-11)67-31-23-63(24-32-67)89(62-21-29-66(30-22-62)90(74-45-37-70(94-6)53-61(74)5)79-46-38-71(95-7)54-86(79)102-14,64-25-33-68(34-26-64)92(77-43-19-59(3)51-84(77)100-12)80-47-39-72(96-8)55-87(80)103-15)65-27-35-69(36-28-65)93(78-44-20-60(4)52-85(78)101-13)81-48-40-73(97-9)56-88(81)104-16;1-57-25-9-10-26-66(57)82(67-27-11-18-34-74(67)86-2)62-49-41-58(42-50-62)81(59-43-51-63(52-44-59)83(68-28-12-19-35-75(68)87-3)69-29-13-20-36-76(69)88-4,60-45-53-64(54-46-60)84(70-30-14-21-37-77(70)89-5)71-31-15-22-38-78(71)90-6)61-47-55-65(56-48-61)85(72-32-16-23-39-79(72)91-7)73-33-17-24-40-80(73)92-8;1-57-17-9-19-67(49-57)82(68-20-10-18-58(2)50-68)63-41-33-59(34-42-63)81(60-35-43-64(44-36-60)83(69-21-11-27-75(51-69)86-3)70-22-12-28-76(52-70)87-4,61-37-45-65(46-38-61)84(71-23-13-29-77(53-71)88-5)72-24-14-30-78(54-72)89-6)62-39-47-66(48-40-62)85(73-25-15-31-79(55-73)90-7)74-26-16-32-80(56-74)91-8;;;;/h9-72H,1-8H3;17-56H,1-16H3;9-56H,1-8H3;9-56H,1-8H3;4*1H3/q4*-1;4*+1.
What are the key properties of bis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide?
bis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide has a molecular weight of 5325.90 g/mol, XLogP of 80.18, 96 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(N-(2,4-dimethoxyphenyl)-2-methoxy-4-methylanilino)phenyl]-[4-(N-(2,4-dimethoxyphenyl)-4-methoxy-2-methylanilino)phenyl]-[4-(2-methoxy-N-(2-methoxy-4-methylphenyl)-4-methylanilino)phenyl]boranuide;carbanylium;[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-bis[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]boranuide;tris[4-(2-methoxy-N-(2-methoxyphenyl)anilino)phenyl]-[4-(N-(2-methoxyphenyl)-2-methylanilino)phenyl]boranuide;tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide is sourced from PubChem (CID 158446548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).