N-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline

C76H67N3O5 — CID 135174407

IUPACN-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(CCCCCc3ccco3)cc2)c2ccc(-c3ccc(N(c4ccc(OCc5ccco5)cc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(OCCCCc7ccco7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C76H67N3O5/c1(9-20-72-22-12-54-81-72)4-15-58-25-35-65(36-26-58)77(63-16-5-2-6-17-63)66-37-27-59(28-38-66)61-31-41-68(42-32-61)79(71-47-51-75(52-48-71)84-57-76-24-14-56-83-76)69-43-33-62(34-44-69)60-29-39-67(40-30-60)78(64-18-7-3-8-19-64)70-45-49-74(50-46-70)80-53-11-10-21-73-23-13-55-82-73/h2-3,5-8,12-14,16-19,22-52,54-56H,1,4,9-11,15,20-21,53,57H2
InChIKeyWDBPOSJPOGFJDO-UHFFFAOYSA-N
MW1102.39 g/mol
LogP21.15
Rot. Bonds26

About N-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline

N-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline (PubChem CID 135174407) has the molecular formula C76H67N3O5 and a molecular weight of 1102.39 g/mol. Its IUPAC name is N-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline
PubChem CID135174407
Molecular FormulaC76H67N3O5
Molecular Weight1102.39 g/mol
Exact Mass1101.51
IUPAC NameN-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(CCCCCc3ccco3)cc2)c2ccc(-c3ccc(N(c4ccc(OCc5ccco5)cc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(OCCCCc7ccco7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C76H67N3O5/c1(9-20-72-22-12-54-81-72)4-15-58-25-35-65(36-26-58)77(63-16-5-2-6-17-63)66-37-27-59(28-38-66)61-31-41-68(42-32-61)79(71-47-51-75(52-48-71)84-57-76-24-14-56-83-76)69-43-33-62(34-44-69)60-29-39-67(40-30-60)78(64-18-7-3-8-19-64)70-45-49-74(50-46-70)80-53-11-10-21-73-23-13-55-82-73/h2-3,5-8,12-14,16-19,22-52,54-56H,1,4,9-11,15,20-21,53,57H2
InChIKeyWDBPOSJPOGFJDO-UHFFFAOYSA-N
XLogP21.15
TPSA67.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001102.39
LogP ≤ 521.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline with MolForge

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Related Compounds

N-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline
CID 66679097
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
2-[4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 65362318
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
4-(furan-2-ylmethyl)-N,N-diphenylaniline
CID 135174405
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
4-(4-methylphenyl)-N-phenyl-N-[4-[2-(4-prop-2-enoxyphenyl)ethoxy]phenyl]aniline
CID 58701269
1-[4-[6-[4-[4-(6-bromohexoxy)phenyl]phenyl]hexyl]phenyl]-3,5-bis(phenylmethoxy)benzene
CID 102386596
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
4-[8-[(3-ethyloxetan-3-yl)methoxy]octyl]-N-[4-[4-(N-[4-[8-[(3-ethyloxetan-3-yl)methoxy]octyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 135194461
4-[6-(3-methoxy-3-methylbutoxy)hexyl]-N-[4-[4-(N-[4-[6-(3-methoxy-3-methylbutoxy)hexyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 164792484

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline?
The IUPAC name of N-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline (CID 135174407) is N-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline.
What is the SMILES notation for N-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline?
The canonical SMILES for N-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline is c1ccc(N(c2ccc(CCCCCc3ccco3)cc2)c2ccc(-c3ccc(N(c4ccc(OCc5ccco5)cc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(OCCCCc7ccco7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline?
The InChIKey is WDBPOSJPOGFJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H67N3O5/c1(9-20-72-22-12-54-81-72)4-15-58-25-35-65(36-26-58)77(63-16-5-2-6-17-63)66-37-27-59(28-38-66)61-31-41-68(42-32-61)79(71-47-51-75(52-48-71)84-57-76-24-14-56-83-76)69-43-33-62(34-44-69)60-29-39-67(40-30-60)78(64-18-7-3-8-19-64)70-45-49-74(50-46-70)80-53-11-10-21-73-23-13-55-82-73/h2-3,5-8,12-14,16-19,22-52,54-56H,1,4,9-11,15,20-21,53,57H2.
What are the key properties of N-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline?
N-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline has a molecular weight of 1102.39 g/mol, XLogP of 21.15, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[4-(N-[4-[4-(furan-2-yl)butoxy]phenyl]anilino)phenyl]-N-[4-(furan-2-ylmethoxy)phenyl]anilino]phenyl]phenyl]-4-[5-(furan-2-yl)pentyl]-N-phenylaniline is sourced from PubChem (CID 135174407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).