N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline

C84H93N3 — CID 18346375

IUPACN-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline
SMILESCCCCc1cccc(N(c2ccc(-c3cc(-c4ccc(N(c5cccc(CCCC)c5)c5cccc(CCCC)c5)cc4)cc(-c4ccc(N(c5cccc(CCCC)c5)c5cccc(CCCC)c5)cc4)c3)cc2)c2cccc(CCCC)c2)c1
InChIInChI=1S/C84H93N3/c1-7-13-25-64-31-19-37-79(55-64)85(80-38-20-32-65(56-80)26-14-8-2)76-49-43-70(44-50-76)73-61-74(71-45-51-77(52-46-71)86(81-39-21-33-66(57-81)27-15-9-3)82-40-22-34-67(58-82)28-16-10-4)63-75(62-73)72-47-53-78(54-48-72)87(83-41-23-35-68(59-83)29-17-11-5)84-42-24-36-69(60-84)30-18-12-6/h19-24,31-63H,7-18,25-30H2,1-6H3
InChIKeyUNWWMELZSGNHMT-UHFFFAOYSA-N
MW1144.69 g/mol
LogP25.15
Rot. Bonds30

About N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline

N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline (PubChem CID 18346375) has the molecular formula C84H93N3 and a molecular weight of 1144.69 g/mol. Its IUPAC name is N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline
PubChem CID18346375
Molecular FormulaC84H93N3
Molecular Weight1144.69 g/mol
Exact Mass1143.74
IUPAC NameN-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline
SMILESCCCCc1cccc(N(c2ccc(-c3cc(-c4ccc(N(c5cccc(CCCC)c5)c5cccc(CCCC)c5)cc4)cc(-c4ccc(N(c5cccc(CCCC)c5)c5cccc(CCCC)c5)cc4)c3)cc2)c2cccc(CCCC)c2)c1
InChIInChI=1S/C84H93N3/c1-7-13-25-64-31-19-37-79(55-64)85(80-38-20-32-65(56-80)26-14-8-2)76-49-43-70(44-50-76)73-61-74(71-45-51-77(52-46-71)86(81-39-21-33-66(57-81)27-15-9-3)82-40-22-34-67(58-82)28-16-10-4)63-75(62-73)72-47-53-78(54-48-72)87(83-41-23-35-68(59-83)29-17-11-5)84-42-24-36-69(60-84)30-18-12-6/h19-24,31-63H,7-18,25-30H2,1-6H3
InChIKeyUNWWMELZSGNHMT-UHFFFAOYSA-N
XLogP25.15
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001144.69
LogP ≤ 525.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline with MolForge

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Related Compounds

N-[4-[3-[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]-5-[4-(N-(3-butylphenyl)-3-methylanilino)phenyl]phenyl]phenyl]-N-(3-butylphenyl)-3-methylaniline
CID 20688277
3-butyl-N-(3-butylphenyl)-N-phenylaniline
CID 90178850
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;3-butyl-N-[4-[4-(N-(3-butylphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 123445678
3-butylaniline;N-[4-(4-methylphenyl)phenyl]-N,4-diphenylaniline
CID 143269144
1-N,4-N-bis(3,5-dibutylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 19842982
N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline
CID 101074585
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline
CID 130356199
2-[3-(N-(4-phenylphenyl)anilino)phenyl]ethanol
CID 20580073
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
[4-(N-(3-butylphenyl)-4-methylanilino)phenyl] prop-2-enoate
CID 88981931

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline?
The IUPAC name of N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline (CID 18346375) is N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline.
What is the SMILES notation for N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline?
The canonical SMILES for N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline is CCCCc1cccc(N(c2ccc(-c3cc(-c4ccc(N(c5cccc(CCCC)c5)c5cccc(CCCC)c5)cc4)cc(-c4ccc(N(c5cccc(CCCC)c5)c5cccc(CCCC)c5)cc4)c3)cc2)c2cccc(CCCC)c2)c1.
What is the InChIKey of N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline?
The InChIKey is UNWWMELZSGNHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H93N3/c1-7-13-25-64-31-19-37-79(55-64)85(80-38-20-32-65(56-80)26-14-8-2)76-49-43-70(44-50-76)73-61-74(71-45-51-77(52-46-71)86(81-39-21-33-66(57-81)27-15-9-3)82-40-22-34-67(58-82)28-16-10-4)63-75(62-73)72-47-53-78(54-48-72)87(83-41-23-35-68(59-83)29-17-11-5)84-42-24-36-69(60-84)30-18-12-6/h19-24,31-63H,7-18,25-30H2,1-6H3.
What are the key properties of N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline?
N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline has a molecular weight of 1144.69 g/mol, XLogP of 25.15, 30 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline is sourced from PubChem (CID 18346375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).