4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine

C82H132N6O4 — CID 58862545

IUPAC4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine
SMILESCCCCCCN(CCCCCC)c1ccc(N(c2ccc(N(c3ccc(N(CCCCCC)CCCCCC)c(OC)c3)c3ccc(N(CCCCCC)CCCCCC)c(OC)c3)cc2)c2ccc(N(CCCCCC)CCCCCC)c(OC)c2)cc1OC
InChIInChI=1S/C82H132N6O4/c1-13-21-29-37-57-83(58-38-30-22-14-2)75-53-49-71(65-79(75)89-9)87(72-50-54-76(80(66-72)90-10)84(59-39-31-23-15-3)60-40-32-24-16-4)69-45-47-70(48-46-69)88(73-51-55-77(81(67-73)91-11)85(61-41-33-25-17-5)62-42-34-26-18-6)74-52-56-78(82(68-74)92-12)86(63-43-35-27-19-7)64-44-36-28-20-8/h45-56,65-68H,13-44,57-64H2,1-12H3
InChIKeyRLVLVTXZRPIGGV-UHFFFAOYSA-N
MW1266.00 g/mol
LogP24.53
Rot. Bonds54

About 4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine

4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine (PubChem CID 58862545) has the molecular formula C82H132N6O4 and a molecular weight of 1266.00 g/mol. Its IUPAC name is 4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine
PubChem CID58862545
Molecular FormulaC82H132N6O4
Molecular Weight1266.00 g/mol
Exact Mass1265.03
IUPAC Name4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine
SMILESCCCCCCN(CCCCCC)c1ccc(N(c2ccc(N(c3ccc(N(CCCCCC)CCCCCC)c(OC)c3)c3ccc(N(CCCCCC)CCCCCC)c(OC)c3)cc2)c2ccc(N(CCCCCC)CCCCCC)c(OC)c2)cc1OC
InChIInChI=1S/C82H132N6O4/c1-13-21-29-37-57-83(58-38-30-22-14-2)75-53-49-71(65-79(75)89-9)87(72-50-54-76(80(66-72)90-10)84(59-39-31-23-15-3)60-40-32-24-16-4)69-45-47-70(48-46-69)88(73-51-55-77(81(67-73)91-11)85(61-41-33-25-17-5)62-42-34-26-18-6)74-52-56-78(82(68-74)92-12)86(63-43-35-27-19-7)64-44-36-28-20-8/h45-56,65-68H,13-44,57-64H2,1-12H3
InChIKeyRLVLVTXZRPIGGV-UHFFFAOYSA-N
XLogP24.53
TPSA56.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds54
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001266.00
LogP ≤ 524.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine with MolForge

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Related Compounds

2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453
N,N-dihexyl-2-methoxyaniline
CID 59373144
1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 161180059
2-chloro-4-N-[4-(3-chloro-N-(3-chloro-4-methylphenyl)-4-methylanilino)phenyl]-4-N-[3-chloro-4-(dioctylamino)phenyl]-1-N,1-N-dioctylbenzene-1,4-diamine
CID 88901794
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-N,1-N,3-N,3-N-tetrahexylbenzene-1,3-diamine
CID 639918
4-(2,4-dimethoxy-N-propylanilino)butanoic acid
CID 100521291
4-(butylaminomethyl)-2-methoxy-N,N-dipropylaniline
CID 84754251
3-(2-methoxy-N-pentylanilino)propanoic acid
CID 82318150
bis(4-N-[4-[4-(dioctylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-4-N-[4-(dioctylamino)phenyl]-1-N,1-N-dioctylbenzene-1,4-diamine);fluoroboronic acid
CID 173423264
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine (CID 58862545) is 4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine is CCCCCCN(CCCCCC)c1ccc(N(c2ccc(N(c3ccc(N(CCCCCC)CCCCCC)c(OC)c3)c3ccc(N(CCCCCC)CCCCCC)c(OC)c3)cc2)c2ccc(N(CCCCCC)CCCCCC)c(OC)c2)cc1OC.
What is the InChIKey of 4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine?
The InChIKey is RLVLVTXZRPIGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H132N6O4/c1-13-21-29-37-57-83(58-38-30-22-14-2)75-53-49-71(65-79(75)89-9)87(72-50-54-76(80(66-72)90-10)84(59-39-31-23-15-3)60-40-32-24-16-4)69-45-47-70(48-46-69)88(73-51-55-77(81(67-73)91-11)85(61-41-33-25-17-5)62-42-34-26-18-6)74-52-56-78(82(68-74)92-12)86(63-43-35-27-19-7)64-44-36-28-20-8/h45-56,65-68H,13-44,57-64H2,1-12H3.
What are the key properties of 4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine?
4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine has a molecular weight of 1266.00 g/mol, XLogP of 24.53, 54 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 58862545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).