N-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline

C220H217N9O8 — CID 158125236

IUPACN-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline
SMILESCCCCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(OCCCC)cc5)cc4)cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(OCCCC)cc5)cc4)c3)cc2)cc1.CCCCOc1cccc(N(c2ccc(-c3cc(-c4ccc(N(c5cccc(C)c5)c5cccc(OCCCC)c5)cc4)cc(-c4ccc(N(c5cccc(C)c5)c5cccc(OCCCC)c5)cc4)c3)cc2)c2cccc(C)c2)c1.CCCOc1ccccc1N(c1ccc(-c2cc(-c3ccc(N(C4=CC=CCC4C)c4ccccc4C)cc3)cc(-c3ccc(N(c4ccccc4C)c4ccccc4OCCC)cc3)c2)cc1)c1ccccc1C
InChIInChI=1S/2C75H75N3O3.C70H67N3O2/c1-7-10-49-79-73-43-37-70(38-44-73)76(64-25-13-55(4)14-26-64)67-31-19-58(20-32-67)61-52-62(59-21-33-68(34-22-59)77(65-27-15-56(5)16-28-65)71-39-45-74(46-40-71)80-50-11-8-2)54-63(53-61)60-23-35-69(36-24-60)78(66-29-17-57(6)18-30-66)72-41-47-75(48-42-72)81-51-12-9-3;1-7-10-43-79-73-28-16-25-70(52-73)76(67-22-13-19-55(4)46-67)64-37-31-58(32-38-64)61-49-62(59-33-39-65(40-34-59)77(68-23-14-20-56(5)47-68)71-26-17-29-74(53-71)80-44-11-8-2)51-63(50-61)60-35-41-66(42-36-60)78(69-24-15-21-57(6)48-69)72-27-18-30-75(54-72)81-45-12-9-3;1-7-45-74-69-31-19-17-29-67(69)72(65-27-15-11-23-52(65)5)61-41-35-55(36-42-61)58-47-57(54-33-39-60(40-34-54)71(63-25-13-9-21-50(63)3)64-26-14-10-22-51(64)4)48-59(49-58)56-37-43-62(44-38-56)73(66-28-16-12-24-53(66)6)68-30-18-20-32-70(68)75-46-8-2/h13-48,52-54H,7-12,49-51H2,1-6H3;13-42,46-54H,7-12,43-45H2,1-6H3;9-21,23-44,47-49,51H,7-8,22,45-46H2,1-6H3
InChIKeyFSBXKHRCGBZKPC-UHFFFAOYSA-N
MW3115.21 g/mol
LogP62.87
Rot. Bonds66

About N-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline

N-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline (PubChem CID 158125236) has the molecular formula C220H217N9O8 and a molecular weight of 3115.21 g/mol. Its IUPAC name is N-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline.

Molecular Properties

Compound NameN-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline
PubChem CID158125236
Molecular FormulaC220H217N9O8
Molecular Weight3115.21 g/mol
Exact Mass3112.69
IUPAC NameN-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline
SMILESCCCCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(OCCCC)cc5)cc4)cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(OCCCC)cc5)cc4)c3)cc2)cc1.CCCCOc1cccc(N(c2ccc(-c3cc(-c4ccc(N(c5cccc(C)c5)c5cccc(OCCCC)c5)cc4)cc(-c4ccc(N(c5cccc(C)c5)c5cccc(OCCCC)c5)cc4)c3)cc2)c2cccc(C)c2)c1.CCCOc1ccccc1N(c1ccc(-c2cc(-c3ccc(N(C4=CC=CCC4C)c4ccccc4C)cc3)cc(-c3ccc(N(c4ccccc4C)c4ccccc4OCCC)cc3)c2)cc1)c1ccccc1C
InChIInChI=1S/2C75H75N3O3.C70H67N3O2/c1-7-10-49-79-73-43-37-70(38-44-73)76(64-25-13-55(4)14-26-64)67-31-19-58(20-32-67)61-52-62(59-21-33-68(34-22-59)77(65-27-15-56(5)16-28-65)71-39-45-74(46-40-71)80-50-11-8-2)54-63(53-61)60-23-35-69(36-24-60)78(66-29-17-57(6)18-30-66)72-41-47-75(48-42-72)81-51-12-9-3;1-7-10-43-79-73-28-16-25-70(52-73)76(67-22-13-19-55(4)46-67)64-37-31-58(32-38-64)61-49-62(59-33-39-65(40-34-59)77(68-23-14-20-56(5)47-68)71-26-17-29-74(53-71)80-44-11-8-2)51-63(50-61)60-35-41-66(42-36-60)78(69-24-15-21-57(6)48-69)72-27-18-30-75(54-72)81-45-12-9-3;1-7-45-74-69-31-19-17-29-67(69)72(65-27-15-11-23-52(65)5)61-41-35-55(36-42-61)58-47-57(54-33-39-60(40-34-54)71(63-25-13-9-21-50(63)3)64-26-14-10-22-51(64)4)48-59(49-58)56-37-43-62(44-38-56)73(66-28-16-12-24-53(66)6)68-30-18-20-32-70(68)75-46-8-2/h13-48,52-54H,7-12,49-51H2,1-6H3;13-42,46-54H,7-12,43-45H2,1-6H3;9-21,23-44,47-49,51H,7-8,22,45-46H2,1-6H3
InChIKeyFSBXKHRCGBZKPC-UHFFFAOYSA-N
XLogP62.87
TPSA103.00 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds66
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003115.21
LogP ≤ 562.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline?
The IUPAC name of N-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline (CID 158125236) is N-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline.
What is the SMILES notation for N-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline?
The canonical SMILES for N-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline is CCCCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(OCCCC)cc5)cc4)cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(OCCCC)cc5)cc4)c3)cc2)cc1.CCCCOc1cccc(N(c2ccc(-c3cc(-c4ccc(N(c5cccc(C)c5)c5cccc(OCCCC)c5)cc4)cc(-c4ccc(N(c5cccc(C)c5)c5cccc(OCCCC)c5)cc4)c3)cc2)c2cccc(C)c2)c1.CCCOc1ccccc1N(c1ccc(-c2cc(-c3ccc(N(C4=CC=CCC4C)c4ccccc4C)cc3)cc(-c3ccc(N(c4ccccc4C)c4ccccc4OCCC)cc3)c2)cc1)c1ccccc1C.
What is the InChIKey of N-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline?
The InChIKey is FSBXKHRCGBZKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C75H75N3O3.C70H67N3O2/c1-7-10-49-79-73-43-37-70(38-44-73)76(64-25-13-55(4)14-26-64)67-31-19-58(20-32-67)61-52-62(59-21-33-68(34-22-59)77(65-27-15-56(5)16-28-65)71-39-45-74(46-40-71)80-50-11-8-2)54-63(53-61)60-23-35-69(36-24-60)78(66-29-17-57(6)18-30-66)72-41-47-75(48-42-72)81-51-12-9-3;1-7-10-43-79-73-28-16-25-70(52-73)76(67-22-13-19-55(4)46-67)64-37-31-58(32-38-64)61-49-62(59-33-39-65(40-34-59)77(68-23-14-20-56(5)47-68)71-26-17-29-74(53-71)80-44-11-8-2)51-63(50-61)60-35-41-66(42-36-60)78(69-24-15-21-57(6)48-69)72-27-18-30-75(54-72)81-45-12-9-3;1-7-45-74-69-31-19-17-29-67(69)72(65-27-15-11-23-52(65)5)61-41-35-55(36-42-61)58-47-57(54-33-39-60(40-34-54)71(63-25-13-9-21-50(63)3)64-26-14-10-22-51(64)4)48-59(49-58)56-37-43-62(44-38-56)73(66-28-16-12-24-53(66)6)68-30-18-20-32-70(68)75-46-8-2/h13-48,52-54H,7-12,49-51H2,1-6H3;13-42,46-54H,7-12,43-45H2,1-6H3;9-21,23-44,47-49,51H,7-8,22,45-46H2,1-6H3.
What are the key properties of N-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline?
N-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline has a molecular weight of 3115.21 g/mol, XLogP of 62.87, 66 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis[4-(3-butoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-(3-butoxyphenyl)-3-methylaniline;N-[4-[3,5-bis[4-(N-(4-butoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-butoxyphenyl)-4-methylaniline;N-[4-[3,5-bis[4-(2-methyl-N-(2-propoxyphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)aniline is sourced from PubChem (CID 158125236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).