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

C63H64N2O8 — CID 123142393

IUPAC7-[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
SMILESCOc1cc2c(cc1OC)C1(CC2(C)C)CC(C)(C)C2CC3OC4CC5C(=O)N(c6c(C)cc(-c7cc(C)c(N8C(=O)c9cc(C)c(C)cc9C8=O)c8ccccc78)c7ccccc67)C(=O)C5CC4OC3CC21
InChIInChI=1S/C63H64N2O8/c1-31-19-41-42(20-32(31)2)58(67)64(57(41)66)55-33(3)21-39(35-15-11-13-17-37(35)55)40-22-34(4)56(38-18-14-12-16-36(38)40)65-59(68)43-23-51-52(24-44(43)60(65)69)73-54-28-48-46(26-53(54)72-51)62(7,8)30-63(48)29-61(5,6)45-25-49(70-9)50(71-10)27-47(45)63/h11-22,25,27,43-44,46,48,51-54H,23-24,26,28-30H2,1-10H3
InChIKeyZMWKPQHWPYUTQI-UHFFFAOYSA-N
MW977.21 g/mol
LogP12.21
Rot. Bonds5

About 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

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 (PubChem CID 123142393) has the molecular formula C63H64N2O8 and a molecular weight of 977.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID123142393
Molecular FormulaC63H64N2O8
Molecular Weight977.21 g/mol
Exact Mass976.47
IUPAC Name7-[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
SMILESCOc1cc2c(cc1OC)C1(CC2(C)C)CC(C)(C)C2CC3OC4CC5C(=O)N(c6c(C)cc(-c7cc(C)c(N8C(=O)c9cc(C)c(C)cc9C8=O)c8ccccc78)c7ccccc67)C(=O)C5CC4OC3CC21
InChIInChI=1S/C63H64N2O8/c1-31-19-41-42(20-32(31)2)58(67)64(57(41)66)55-33(3)21-39(35-15-11-13-17-37(35)55)40-22-34(4)56(38-18-14-12-16-36(38)40)65-59(68)43-23-51-52(24-44(43)60(65)69)73-54-28-48-46(26-53(54)72-51)62(7,8)30-63(48)29-61(5,6)45-25-49(70-9)50(71-10)27-47(45)63/h11-22,25,27,43-44,46,48,51-54H,23-24,26,28-30H2,1-10H3
InChIKeyZMWKPQHWPYUTQI-UHFFFAOYSA-N
XLogP12.21
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.21
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2c(cc1OC)C1(CC2(C)C)CC(C)(C)C2CC3OC4CC5C(=O)N(c6c(C)cc(-c7cc(C)c(N8C(=O)c9cc(C)c(C)cc9C8=O)c8ccccc78)c7ccccc67)C(=O)C5CC4OC3CC21.
What is the InChIKey of 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?
The InChIKey is ZMWKPQHWPYUTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H64N2O8/c1-31-19-41-42(20-32(31)2)58(67)64(57(41)66)55-33(3)21-39(35-15-11-13-17-37(35)55)40-22-34(4)56(38-18-14-12-16-36(38)40)65-59(68)43-23-51-52(24-44(43)60(65)69)73-54-28-48-46(26-53(54)72-51)62(7,8)30-63(48)29-61(5,6)45-25-49(70-9)50(71-10)27-47(45)63/h11-22,25,27,43-44,46,48,51-54H,23-24,26,28-30H2,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 977.21 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123142393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).