3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline

C108H99N5O8 — CID 59196910

About 3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline

3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline (PubChem CID 59196910) has the molecular formula C108H99N5O8 and a molecular weight of 1595.01 g/mol. Its IUPAC name is 3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline
• PubChem CID: 59196910
• Molecular Formula: C108H99N5O8
• Molecular Weight: 1595.01 g/mol
• Exact Mass: 1593.75
• IUPAC Name: 3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline
• SMILES: CC1(COCCCCOc2cccc(N(c3ccc(Oc4cccc(N(c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c5cccc(OCCCCOCC6(C)COC6)c5)c4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc(Oc6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)cc4)cc3)c2)COC1
• InChI: InChI=1S/C108H99N5O8/c1-107(78-116-79-107)76-114-68-18-20-70-118-103-40-22-36-97(72-103)112(93-56-48-84(49-57-93)83-46-54-92(55-47-83)111(90-34-16-7-17-35-90)99-38-24-42-105(74-99)120-101-64-60-95(61-65-101)110(88-30-12-5-13-31-88)89-32-14-6-15-33-89)96-62-66-102(67-63-96)121-106-43-25-39-100(75-106)113(98-37-23-41-104(73-98)119-71-21-19-69-115-77-108(2)80-117-81-108)94-58-50-85(51-59-94)82-44-52-91(53-45-82)109(86-26-8-3-9-27-86)87-28-10-4-11-29-87/h3-17,22-67,72-75H,18-21,68-71,76-81H2,1-2H3
• InChIKey: YVQKFFNHHHYYEI-UHFFFAOYSA-N
• XLogP: 28.38
• TPSA: 90.04 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 37
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1595.01
LogP ≤ 5	28.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline?

The IUPAC name of 3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline (CID 59196910) is 3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline.

What is the SMILES notation for 3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline?

The canonical SMILES for 3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline is CC1(COCCCCOc2cccc(N(c3ccc(Oc4cccc(N(c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c5cccc(OCCCCOCC6(C)COC6)c5)c4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5cccc(Oc6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)cc4)cc3)c2)COC1.

What is the InChIKey of 3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline?

The InChIKey is YVQKFFNHHHYYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H99N5O8/c1-107(78-116-79-107)76-114-68-18-20-70-118-103-40-22-36-97(72-103)112(93-56-48-84(49-57-93)83-46-54-92(55-47-83)111(90-34-16-7-17-35-90)99-38-24-42-105(74-99)120-101-64-60-95(61-65-101)110(88-30-12-5-13-31-88)89-32-14-6-15-33-89)96-62-66-102(67-63-96)121-106-43-25-39-100(75-106)113(98-37-23-41-104(73-98)119-71-21-19-69-115-77-108(2)80-117-81-108)94-58-50-85(51-59-94)82-44-52-91(53-45-82)109(86-26-8-3-9-27-86)87-28-10-4-11-29-87/h3-17,22-67,72-75H,18-21,68-71,76-81H2,1-2H3.

What are the key properties of 3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline?

3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline has a molecular weight of 1595.01 g/mol, XLogP of 28.38, 37 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[3-[N-[3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenoxy]phenyl]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 59196910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).