7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione

C67H60N2O10 — CID 165031963

IUPAC7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione
SMILESC#CCOc1ccc2c(N3C(=O)C4CC5OC6CCC(C7(C8CCC9OC%10CC%11C(=O)N(c%12cccc%13cc(OCC#C)ccc%12%13)C(=O)C%11CC%10OC9C8)c8ccccc8-c8ccccc87)CC6OC5CC4C3=O)cccc2c1
InChIInChI=1S/C67H60N2O10/c1-3-27-74-41-21-23-43-37(29-41)11-9-17-53(43)68-63(70)47-33-59-61(35-49(47)65(68)72)78-57-31-39(19-25-55(57)76-59)67(51-15-7-5-13-45(51)46-14-6-8-16-52(46)67)40-20-26-56-58(32-40)79-62-36-50-48(34-60(62)77-56)64(71)69(66(50)73)54-18-10-12-38-30-42(75-28-4-2)22-24-44(38)54/h1-2,5-18,21-24,29-30,39-40,47-50,55-62H,19-20,25-28,31-36H2
InChIKeyVTGLNRNCYVQWOC-UHFFFAOYSA-N
MW1053.22 g/mol
LogP10.13
Rot. Bonds8

About 7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione

7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione (PubChem CID 165031963) has the molecular formula C67H60N2O10 and a molecular weight of 1053.22 g/mol. Its IUPAC name is 7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione.

Molecular Properties

Compound Name7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione
PubChem CID165031963
Molecular FormulaC67H60N2O10
Molecular Weight1053.22 g/mol
Exact Mass1052.42
IUPAC Name7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione
SMILESC#CCOc1ccc2c(N3C(=O)C4CC5OC6CCC(C7(C8CCC9OC%10CC%11C(=O)N(c%12cccc%13cc(OCC#C)ccc%12%13)C(=O)C%11CC%10OC9C8)c8ccccc8-c8ccccc87)CC6OC5CC4C3=O)cccc2c1
InChIInChI=1S/C67H60N2O10/c1-3-27-74-41-21-23-43-37(29-41)11-9-17-53(43)68-63(70)47-33-59-61(35-49(47)65(68)72)78-57-31-39(19-25-55(57)76-59)67(51-15-7-5-13-45(51)46-14-6-8-16-52(46)67)40-20-26-56-58(32-40)79-62-36-50-48(34-60(62)77-56)64(71)69(66(50)73)54-18-10-12-38-30-42(75-28-4-2)22-24-44(38)54/h1-2,5-18,21-24,29-30,39-40,47-50,55-62H,19-20,25-28,31-36H2
InChIKeyVTGLNRNCYVQWOC-UHFFFAOYSA-N
XLogP10.13
TPSA130.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.22
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-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

Related Compounds

5-[4-[2-[4-[1,3-Dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)isoindol-5-yl]oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-(6-prop-2-ynoxynaphthalen-1-yl)isoindole-1,3-dione
CID 170683308
7-[5-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-2-methylphenyl]-5',6'-dimethoxy-1',1',18,18-tetramethylspiro[2,12-dioxa-7-azapentacyclo[11.7.0.03,11.05,9.015,19]icosane-16,3'-2H-indene]-6,8-dione
CID 173549968
5-[4-[9-[4-(1,3-Dioxo-2-phenylisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]-2-phenylisoindole-1,3-dione
CID 23382615
2-(3-methylphenyl)-5-[4-[(1R)-1,3,3-trimethyl-6-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2H-inden-1-yl]phenoxy]isoindole-1,3-dione
CID 59967794
7-[4-[4-(5,6-dimethyl-1,3-dioxoisoindol-2-yl)-3-methylnaphthalen-1-yl]-2-methylnaphthalen-1-yl]-5',6'-dimethoxy-1',1',18,18-tetramethylspiro[2,12-dioxa-7-azapentacyclo[11.7.0.03,11.05,9.015,19]icosane-16,3'-2H-indene]-6,8-dione
CID 123142393
7-[4-(5,6-dimethyl-1,3-dioxoisoindol-2-yl)-2,3,5,6-tetramethylphenyl]-5',6'-dimethoxy-1',1',18,18-tetramethylspiro[2,12-dioxa-7-azapentacyclo[11.7.0.03,11.05,9.015,19]icosane-16,3'-2H-indene]-6,8-dione
CID 123663125
7'-[4-(3,4-Dimethylnaphthalen-1-yl)-2-methylnaphthalen-1-yl]-7,18,18,18',18'-pentamethyl-16,16'-spirobi[2,12-dioxa-7-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene]-6,6',8,8'-tetrone
CID 124145829
5-[4-[(1R)-6-(2-tert-butyl-1,3-dioxoisoindol-5-yl)oxy-1,3,3-trimethyl-2H-inden-1-yl]phenoxy]-2-(3-propan-2-ylphenyl)isoindole-1,3-dione
CID 142016466
10-[4-(5,6-Dimethoxy-1,3-dioxoisoindol-2-yl)-2,3,5,6-tetramethylphenyl]-22,23-dimethyl-1,19-di(propan-2-yl)-5,15-dioxa-10-azaoctacyclo[17.6.6.02,18.04,16.06,14.08,12.020,25.026,31]hentriaconta-2,4(16),6(14),7,12,17,20(25),21,23,26,28,30-dodecaene-9,11-dione
CID 154589805
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
2-(4-Ethynylphenyl)-5-[4-[9-[4-[2-(4-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione
CID 155228933
2-(3-Ethynylphenyl)-5-[4-[9-[4-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione
CID 155228938

Frequently Asked Questions

What is the IUPAC name of 7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione?
The IUPAC name of 7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione (CID 165031963) is 7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione.
What is the SMILES notation for 7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione?
The canonical SMILES for 7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione is C#CCOc1ccc2c(N3C(=O)C4CC5OC6CCC(C7(C8CCC9OC%10CC%11C(=O)N(c%12cccc%13cc(OCC#C)ccc%12%13)C(=O)C%11CC%10OC9C8)c8ccccc8-c8ccccc87)CC6OC5CC4C3=O)cccc2c1.
What is the InChIKey of 7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione?
The InChIKey is VTGLNRNCYVQWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H60N2O10/c1-3-27-74-41-21-23-43-37(29-41)11-9-17-53(43)68-63(70)47-33-59-61(35-49(47)65(68)72)78-57-31-39(19-25-55(57)76-59)67(51-15-7-5-13-45(51)46-14-6-8-16-52(46)67)40-20-26-56-58(32-40)79-62-36-50-48(34-60(62)77-56)64(71)69(66(50)73)54-18-10-12-38-30-42(75-28-4-2)22-24-44(38)54/h1-2,5-18,21-24,29-30,39-40,47-50,55-62H,19-20,25-28,31-36H2.
What are the key properties of 7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione?
7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione has a molecular weight of 1053.22 g/mol, XLogP of 10.13, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9-[1,3-dioxo-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrol-7-yl]fluoren-9-yl]-2-(6-prop-2-ynoxynaphthalen-1-yl)-3a,4,4a,5a,6,7,8,9,9a,10a,11,11a-dodecahydrooxanthreno[2,3-c]pyrrole-1,3-dione is sourced from PubChem (CID 165031963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).