1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine

C55H76N4 — CID 123930725

IUPAC1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine
SMILESCc1ccc2c(c1N1CCN(C3=c4cc(CCC(C)C5CC=CC(C(C)C)=C5N5CCN(C6=C(C(C)C)C=CCC6C(C)C)C5)ccc4=CCC3C)C1)=CC(C)(C)CC=2
InChIInChI=1S/C55H76N4/c1-36(2)45-14-12-15-46(37(3)4)53(45)58-30-31-59(35-58)54-47(38(5)6)16-13-17-48(54)39(7)18-21-42-22-25-43-23-19-40(8)51(49(43)32-42)56-28-29-57(34-56)52-41(9)20-24-44-26-27-55(10,11)33-50(44)52/h12-14,16,20,22-26,32-33,36-40,46,48H,15,17-19,21,27-31,34-35H2,1-11H3
InChIKeyYVSXGWNUIYJBPF-UHFFFAOYSA-N
MW793.24 g/mol
LogP9.47
Rot. Bonds11

About 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine

1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine (PubChem CID 123930725) has the molecular formula C55H76N4 and a molecular weight of 793.24 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine
PubChem CID123930725
Molecular FormulaC55H76N4
Molecular Weight793.24 g/mol
Exact Mass792.61
IUPAC Name1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine
SMILESCc1ccc2c(c1N1CCN(C3=c4cc(CCC(C)C5CC=CC(C(C)C)=C5N5CCN(C6=C(C(C)C)C=CCC6C(C)C)C5)ccc4=CCC3C)C1)=CC(C)(C)CC=2
InChIInChI=1S/C55H76N4/c1-36(2)45-14-12-15-46(37(3)4)53(45)58-30-31-59(35-58)54-47(38(5)6)16-13-17-48(54)39(7)18-21-42-22-25-43-23-19-40(8)51(49(43)32-42)56-28-29-57(34-56)52-41(9)20-24-44-26-27-55(10,11)33-50(44)52/h12-14,16,20,22-26,32-33,36-40,46,48H,15,17-19,21,27-31,34-35H2,1-11H3
InChIKeyYVSXGWNUIYJBPF-UHFFFAOYSA-N
XLogP9.47
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.24
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine 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 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine?
The IUPAC name of 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine (CID 123930725) is 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine?
The canonical SMILES for 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine is Cc1ccc2c(c1N1CCN(C3=c4cc(CCC(C)C5CC=CC(C(C)C)=C5N5CCN(C6=C(C(C)C)C=CCC6C(C)C)C5)ccc4=CCC3C)C1)=CC(C)(C)CC=2.
What is the InChIKey of 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine?
The InChIKey is YVSXGWNUIYJBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H76N4/c1-36(2)45-14-12-15-46(37(3)4)53(45)58-30-31-59(35-58)54-47(38(5)6)16-13-17-48(54)39(7)18-21-42-22-25-43-23-19-40(8)51(49(43)32-42)56-28-29-57(34-56)52-41(9)20-24-44-26-27-55(10,11)33-50(44)52/h12-14,16,20,22-26,32-33,36-40,46,48H,15,17-19,21,27-31,34-35H2,1-11H3.
What are the key properties of 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine?
1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine has a molecular weight of 793.24 g/mol, XLogP of 9.47, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine is sourced from PubChem (CID 123930725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).