2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione

C65H36N2O6 — CID 155228921

IUPAC2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione
SMILESC#Cc1cccc(N2C(=O)c3ccc(Oc4ccc5cc(C6(c7ccc8cc(Oc9ccc%10c(c9)C(=O)N(c9cccc(C#C)c9)C%10=O)ccc8c7)c7ccccc7-c7ccccc76)ccc5c4)cc3C2=O)c1
InChIInChI=1S/C65H36N2O6/c1-3-39-11-9-13-47(31-39)66-61(68)55-29-27-51(37-57(55)63(66)70)72-49-25-21-41-33-45(23-19-43(41)35-49)65(59-17-7-5-15-53(59)54-16-6-8-18-60(54)65)46-24-20-44-36-50(26-22-42(44)34-46)73-52-28-30-56-58(38-52)64(71)67(62(56)69)48-14-10-12-40(4-2)32-48/h1-2,5-38H
InChIKeyGTINRPUPURJZQO-UHFFFAOYSA-N
MW941.01 g/mol
LogP13.50
Rot. Bonds8

About 2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione

2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione (PubChem CID 155228921) has the molecular formula C65H36N2O6 and a molecular weight of 941.01 g/mol. Its IUPAC name is 2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione
PubChem CID155228921
Molecular FormulaC65H36N2O6
Molecular Weight941.01 g/mol
Exact Mass940.26
IUPAC Name2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione
SMILESC#Cc1cccc(N2C(=O)c3ccc(Oc4ccc5cc(C6(c7ccc8cc(Oc9ccc%10c(c9)C(=O)N(c9cccc(C#C)c9)C%10=O)ccc8c7)c7ccccc7-c7ccccc76)ccc5c4)cc3C2=O)c1
InChIInChI=1S/C65H36N2O6/c1-3-39-11-9-13-47(31-39)66-61(68)55-29-27-51(37-57(55)63(66)70)72-49-25-21-41-33-45(23-19-43(41)35-49)65(59-17-7-5-15-53(59)54-16-6-8-18-60(54)65)46-24-20-44-36-50(26-22-42(44)34-46)73-52-28-30-56-58(38-52)64(71)67(62(56)69)48-14-10-12-40(4-2)32-48/h1-2,5-38H
InChIKeyGTINRPUPURJZQO-UHFFFAOYSA-N
XLogP13.50
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.01
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione (CID 155228921) is 2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione is C#Cc1cccc(N2C(=O)c3ccc(Oc4ccc5cc(C6(c7ccc8cc(Oc9ccc%10c(c9)C(=O)N(c9cccc(C#C)c9)C%10=O)ccc8c7)c7ccccc7-c7ccccc76)ccc5c4)cc3C2=O)c1.
What is the InChIKey of 2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione?
The InChIKey is GTINRPUPURJZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H36N2O6/c1-3-39-11-9-13-47(31-39)66-61(68)55-29-27-51(37-57(55)63(66)70)72-49-25-21-41-33-45(23-19-43(41)35-49)65(59-17-7-5-15-53(59)54-16-6-8-18-60(54)65)46-24-20-44-36-50(26-22-42(44)34-46)73-52-28-30-56-58(38-52)64(71)67(62(56)69)48-14-10-12-40(4-2)32-48/h1-2,5-38H.
What are the key properties of 2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione?
2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione has a molecular weight of 941.01 g/mol, XLogP of 13.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethynylphenyl)-5-[6-[9-[6-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 155228921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).