phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate

C65H45N3O2 — CID 164705563

IUPACphenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate
SMILESO=C(CC1(CC2(CC3(Cc4ccccc4)c4ccccc4-c4nc5ccccc5cc43)c3ccccc3-c3nc4ccccc4cc32)c2ccccc2-c2nc3ccccc3cc21)Oc1ccccc1
InChIInChI=1S/C65H45N3O2/c69-59(70-46-24-5-2-6-25-46)39-64(51-30-14-11-27-48(51)61-54(64)36-44-22-8-17-33-57(44)67-61)41-65(52-31-15-12-28-49(52)62-55(65)37-45-23-9-18-34-58(45)68-62)40-63(38-42-19-3-1-4-20-42)50-29-13-10-26-47(50)60-53(63)35-43-21-7-16-32-56(43)66-60/h1-37H,38-41H2
InChIKeyWODUVRKCAGNIGT-UHFFFAOYSA-N
MW900.09 g/mol
LogP14.55
Rot. Bonds9

About phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate

phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate (PubChem CID 164705563) has the molecular formula C65H45N3O2 and a molecular weight of 900.09 g/mol. Its IUPAC name is phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate.

Molecular Properties

Compound Namephenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate
PubChem CID164705563
Molecular FormulaC65H45N3O2
Molecular Weight900.09 g/mol
Exact Mass899.35
IUPAC Namephenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate
SMILESO=C(CC1(CC2(CC3(Cc4ccccc4)c4ccccc4-c4nc5ccccc5cc43)c3ccccc3-c3nc4ccccc4cc32)c2ccccc2-c2nc3ccccc3cc21)Oc1ccccc1
InChIInChI=1S/C65H45N3O2/c69-59(70-46-24-5-2-6-25-46)39-64(51-30-14-11-27-48(51)61-54(64)36-44-22-8-17-33-57(44)67-61)41-65(52-31-15-12-28-49(52)62-55(65)37-45-23-9-18-34-58(45)68-62)40-63(38-42-19-3-1-4-20-42)50-29-13-10-26-47(50)60-53(63)35-43-21-7-16-32-56(43)66-60/h1-37H,38-41H2
InChIKeyWODUVRKCAGNIGT-UHFFFAOYSA-N
XLogP14.55
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.09
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate?
The IUPAC name of phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate (CID 164705563) is phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate.
What is the SMILES notation for phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate?
The canonical SMILES for phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate is O=C(CC1(CC2(CC3(Cc4ccccc4)c4ccccc4-c4nc5ccccc5cc43)c3ccccc3-c3nc4ccccc4cc32)c2ccccc2-c2nc3ccccc3cc21)Oc1ccccc1.
What is the InChIKey of phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate?
The InChIKey is WODUVRKCAGNIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N3O2/c69-59(70-46-24-5-2-6-25-46)39-64(51-30-14-11-27-48(51)61-54(64)36-44-22-8-17-33-57(44)67-61)41-65(52-31-15-12-28-49(52)62-55(65)37-45-23-9-18-34-58(45)68-62)40-63(38-42-19-3-1-4-20-42)50-29-13-10-26-47(50)60-53(63)35-43-21-7-16-32-56(43)66-60/h1-37H,38-41H2.
What are the key properties of phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate?
phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate has a molecular weight of 900.09 g/mol, XLogP of 14.55, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[11-[[11-[(11-benzylindeno[1,2-b]quinolin-11-yl)methyl]indeno[1,2-b]quinolin-11-yl]methyl]indeno[1,2-b]quinolin-11-yl]acetate is sourced from PubChem (CID 164705563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).