2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione

C95H70N4O10 — CID 171048409

About 2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione

2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione (PubChem CID 171048409) has the molecular formula C95H70N4O10 and a molecular weight of 1427.62 g/mol. Its IUPAC name is 2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione
• PubChem CID: 171048409
• Molecular Formula: C95H70N4O10
• Molecular Weight: 1427.62 g/mol
• Exact Mass: 1426.51
• IUPAC Name: 2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione
• SMILES: CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(C6(c7ccc(Oc8ccc9c(c8)C(=O)N(c8ccc(Oc%10ccc(C(C)(C)c%11ccc(Oc%12ccc(N)cc%12)cc%11)cc%10)cc8)C9=O)cc7)c7ccccc7-c7ccccc76)cc5)cc4C3=O)cc2)cc1
• InChI: InChI=1S/C95H70N4O10/c1-93(2,59-13-33-69(34-14-59)104-75-45-25-65(96)26-46-75)61-17-37-71(38-18-61)106-77-49-29-67(30-50-77)98-89(100)83-55-53-79(57-85(83)91(98)102)108-73-41-21-63(22-42-73)95(87-11-7-5-9-81(87)82-10-6-8-12-88(82)95)64-23-43-74(44-24-64)109-80-54-56-84-86(58-80)92(103)99(90(84)101)68-31-51-78(52-32-68)107-72-39-19-62(20-40-72)94(3,4)60-15-35-70(36-16-60)105-76-47-27-66(97)28-48-76/h5-58H,96-97H2,1-4H3
• InChIKey: UMTGJSZRWCWVFI-UHFFFAOYSA-N
• XLogP: 22.22
• TPSA: 182.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1427.62
LogP ≤ 5	22.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione?

The IUPAC name of 2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione (CID 171048409) is 2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione?

The canonical SMILES for 2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione is CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(C6(c7ccc(Oc8ccc9c(c8)C(=O)N(c8ccc(Oc%10ccc(C(C)(C)c%11ccc(Oc%12ccc(N)cc%12)cc%11)cc%10)cc8)C9=O)cc7)c7ccccc7-c7ccccc76)cc5)cc4C3=O)cc2)cc1.

What is the InChIKey of 2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione?

The InChIKey is UMTGJSZRWCWVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H70N4O10/c1-93(2,59-13-33-69(34-14-59)104-75-45-25-65(96)26-46-75)61-17-37-71(38-18-61)106-77-49-29-67(30-50-77)98-89(100)83-55-53-79(57-85(83)91(98)102)108-73-41-21-63(22-42-73)95(87-11-7-5-9-81(87)82-10-6-8-12-88(82)95)64-23-43-74(44-24-64)109-80-54-56-84-86(58-80)92(103)99(90(84)101)68-31-51-78(52-32-68)107-72-39-19-62(20-40-72)94(3,4)60-15-35-70(36-16-60)105-76-47-27-66(97)28-48-76/h5-58H,96-97H2,1-4H3.

What are the key properties of 2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione?

2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione has a molecular weight of 1427.62 g/mol, XLogP of 22.22, 20 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione is sourced from PubChem (CID 171048409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).