5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione

C118H96N2O14 — CID 102217512

IUPAC5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione
SMILESO=c1c2ccccc2n(Cc2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)c2cc3c(=O)c4ccccc4n(Cc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)c3cc12
InChIInChI=1S/C118H96N2O14/c121-117-109-45-25-27-47-113(109)119(69-91-49-97(131-79-93-53-101(123-71-83-29-9-1-10-30-83)63-102(54-93)124-72-84-31-11-2-12-32-84)61-98(50-91)132-80-94-55-103(125-73-85-33-13-3-14-34-85)64-104(56-94)126-74-86-35-15-4-16-36-86)115-67-112-116(68-111(115)117)120(114-48-28-26-46-110(114)118(112)122)70-92-51-99(133-81-95-57-105(127-75-87-37-17-5-18-38-87)65-106(58-95)128-76-88-39-19-6-20-40-88)62-100(52-92)134-82-96-59-107(129-77-89-41-21-7-22-42-89)66-108(60-96)130-78-90-43-23-8-24-44-90/h1-68H,69-82H2
InChIKeyRSSSQRMPJZNNRU-UHFFFAOYSA-N
MW1766.07 g/mol
LogP25.67
Rot. Bonds40

About 5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione

5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione (PubChem CID 102217512) has the molecular formula C118H96N2O14 and a molecular weight of 1766.07 g/mol. Its IUPAC name is 5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione
PubChem CID102217512
Molecular FormulaC118H96N2O14
Molecular Weight1766.07 g/mol
Exact Mass1764.69
IUPAC Name5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione
SMILESO=c1c2ccccc2n(Cc2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)c2cc3c(=O)c4ccccc4n(Cc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)c3cc12
InChIInChI=1S/C118H96N2O14/c121-117-109-45-25-27-47-113(109)119(69-91-49-97(131-79-93-53-101(123-71-83-29-9-1-10-30-83)63-102(54-93)124-72-84-31-11-2-12-32-84)61-98(50-91)132-80-94-55-103(125-73-85-33-13-3-14-34-85)64-104(56-94)126-74-86-35-15-4-16-36-86)115-67-112-116(68-111(115)117)120(114-48-28-26-46-110(114)118(112)122)70-92-51-99(133-81-95-57-105(127-75-87-37-17-5-18-38-87)65-106(58-95)128-76-88-39-19-6-20-40-88)62-100(52-92)134-82-96-59-107(129-77-89-41-21-7-22-42-89)66-108(60-96)130-78-90-43-23-8-24-44-90/h1-68H,69-82H2
InChIKeyRSSSQRMPJZNNRU-UHFFFAOYSA-N
XLogP25.67
TPSA154.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds40
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001766.07
LogP ≤ 525.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5,12-bis[[3,5-bis[(3,5-ditert-butylphenyl)methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione
CID 102217516
10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one
CID 25141164
10-benzyl-3-methoxyacridin-9-one
CID 12751573
10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one
CID 56639627
12-benzyl-4-ethoxy-5H-quinolino[2,3-b]acridine-7,14-dione
CID 139796186
1,3-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-2H-imidazole
CID 101386591
10-benzyl-2-nitroacridin-9-one
CID 12751568
10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one
CID 56639630
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575

Frequently Asked Questions

What is the IUPAC name of 5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione (CID 102217512) is 5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione is O=c1c2ccccc2n(Cc2cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(OCc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)c2cc3c(=O)c4ccccc4n(Cc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)c3cc12.
What is the InChIKey of 5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is RSSSQRMPJZNNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H96N2O14/c121-117-109-45-25-27-47-113(109)119(69-91-49-97(131-79-93-53-101(123-71-83-29-9-1-10-30-83)63-102(54-93)124-72-84-31-11-2-12-32-84)61-98(50-91)132-80-94-55-103(125-73-85-33-13-3-14-34-85)64-104(56-94)126-74-86-35-15-4-16-36-86)115-67-112-116(68-111(115)117)120(114-48-28-26-46-110(114)118(112)122)70-92-51-99(133-81-95-57-105(127-75-87-37-17-5-18-38-87)65-106(58-95)128-76-88-39-19-6-20-40-88)62-100(52-92)134-82-96-59-107(129-77-89-41-21-7-22-42-89)66-108(60-96)130-78-90-43-23-8-24-44-90/h1-68H,69-82H2.
What are the key properties of 5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione?
5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 1766.07 g/mol, XLogP of 25.67, 40 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 102217512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).