2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine

C72H78N6 — CID 58162980

IUPAC2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine
SMILESCC(C)(C)Cc1ccc2c(c1)c1ccccc1c1nc(CCC3CC(CCc4cn5c6ccc(CC(C)(C)C)cc6c6ccccc6c5n4)CC(CCc4cn5c6ccc(CC(C)(C)C)cc6c6ccccc6c5n4)C3)cn21
InChIInChI=1S/C72H78N6/c1-70(2,3)40-49-25-31-64-61(37-49)55-16-10-13-19-58(55)67-73-52(43-76(64)67)28-22-46-34-47(23-29-53-44-77-65-32-26-50(41-71(4,5)6)38-62(65)56-17-11-14-20-59(56)68(77)74-53)36-48(35-46)24-30-54-45-78-66-33-27-51(42-72(7,8)9)39-63(66)57-18-12-15-21-60(57)69(78)75-54/h10-21,25-27,31-33,37-39,43-48H,22-24,28-30,34-36,40-42H2,1-9H3
InChIKeyKQXXPPMCGXDCAF-UHFFFAOYSA-N
MW1027.46 g/mol
LogP18.55
Rot. Bonds12

About 2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine

2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine (PubChem CID 58162980) has the molecular formula C72H78N6 and a molecular weight of 1027.46 g/mol. Its IUPAC name is 2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine
PubChem CID58162980
Molecular FormulaC72H78N6
Molecular Weight1027.46 g/mol
Exact Mass1026.63
IUPAC Name2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine
SMILESCC(C)(C)Cc1ccc2c(c1)c1ccccc1c1nc(CCC3CC(CCc4cn5c6ccc(CC(C)(C)C)cc6c6ccccc6c5n4)CC(CCc4cn5c6ccc(CC(C)(C)C)cc6c6ccccc6c5n4)C3)cn21
InChIInChI=1S/C72H78N6/c1-70(2,3)40-49-25-31-64-61(37-49)55-16-10-13-19-58(55)67-73-52(43-76(64)67)28-22-46-34-47(23-29-53-44-77-65-32-26-50(41-71(4,5)6)38-62(65)56-17-11-14-20-59(56)68(77)74-53)36-48(35-46)24-30-54-45-78-66-33-27-51(42-72(7,8)9)39-63(66)57-18-12-15-21-60(57)69(78)75-54/h10-21,25-27,31-33,37-39,43-48H,22-24,28-30,34-36,40-42H2,1-9H3
InChIKeyKQXXPPMCGXDCAF-UHFFFAOYSA-N
XLogP18.55
TPSA51.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.46
LogP ≤ 518.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine 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-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine?
The IUPAC name of 2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine (CID 58162980) is 2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine?
The canonical SMILES for 2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine is CC(C)(C)Cc1ccc2c(c1)c1ccccc1c1nc(CCC3CC(CCc4cn5c6ccc(CC(C)(C)C)cc6c6ccccc6c5n4)CC(CCc4cn5c6ccc(CC(C)(C)C)cc6c6ccccc6c5n4)C3)cn21.
What is the InChIKey of 2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine?
The InChIKey is KQXXPPMCGXDCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H78N6/c1-70(2,3)40-49-25-31-64-61(37-49)55-16-10-13-19-58(55)67-73-52(43-76(64)67)28-22-46-34-47(23-29-53-44-77-65-32-26-50(41-71(4,5)6)38-62(65)56-17-11-14-20-59(56)68(77)74-53)36-48(35-46)24-30-54-45-78-66-33-27-51(42-72(7,8)9)39-63(66)57-18-12-15-21-60(57)69(78)75-54/h10-21,25-27,31-33,37-39,43-48H,22-24,28-30,34-36,40-42H2,1-9H3.
What are the key properties of 2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine?
2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine has a molecular weight of 1027.46 g/mol, XLogP of 18.55, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-bis[2-[7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridin-2-yl]ethyl]cyclohexyl]ethyl]-7-(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 58162980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).