5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione

C62H68N2O2 — CID 166496189

IUPAC5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione
SMILESO=c1c2ccccc2n(-c2c(C3CCCC3)cc(C3CCCC3)cc2C2CCCC2)c2cc3c(=O)c4ccccc4n(-c4c(C5CCCC5)cc(C5CCCC5)cc4C4CCCC4)c3cc12
InChIInChI=1S/C62H68N2O2/c65-61-47-29-13-15-31-55(47)63(59-49(41-21-5-6-22-41)33-45(39-17-1-2-18-39)34-50(59)42-23-7-8-24-42)57-37-54-58(38-53(57)61)64(56-32-16-14-30-48(56)62(54)66)60-51(43-25-9-10-26-43)35-46(40-19-3-4-20-40)36-52(60)44-27-11-12-28-44/h13-16,29-44H,1-12,17-28H2
InChIKeyBPJOFBQVXSRKPK-UHFFFAOYSA-N
MW873.24 g/mol
LogP16.55
Rot. Bonds8

About 5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione

5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione (PubChem CID 166496189) has the molecular formula C62H68N2O2 and a molecular weight of 873.24 g/mol. Its IUPAC name is 5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione.

Molecular Properties

Compound Name5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione
PubChem CID166496189
Molecular FormulaC62H68N2O2
Molecular Weight873.24 g/mol
Exact Mass872.53
IUPAC Name5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione
SMILESO=c1c2ccccc2n(-c2c(C3CCCC3)cc(C3CCCC3)cc2C2CCCC2)c2cc3c(=O)c4ccccc4n(-c4c(C5CCCC5)cc(C5CCCC5)cc4C4CCCC4)c3cc12
InChIInChI=1S/C62H68N2O2/c65-61-47-29-13-15-31-55(47)63(59-49(41-21-5-6-22-41)33-45(39-17-1-2-18-39)34-50(59)42-23-7-8-24-42)57-37-54-58(38-53(57)61)64(56-32-16-14-30-48(56)62(54)66)60-51(43-25-9-10-26-43)35-46(40-19-3-4-20-40)36-52(60)44-27-11-12-28-44/h13-16,29-44H,1-12,17-28H2
InChIKeyBPJOFBQVXSRKPK-UHFFFAOYSA-N
XLogP16.55
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.24
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione?
The IUPAC name of 5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione (CID 166496189) is 5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione.
What is the SMILES notation for 5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione?
The canonical SMILES for 5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione is O=c1c2ccccc2n(-c2c(C3CCCC3)cc(C3CCCC3)cc2C2CCCC2)c2cc3c(=O)c4ccccc4n(-c4c(C5CCCC5)cc(C5CCCC5)cc4C4CCCC4)c3cc12.
What is the InChIKey of 5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione?
The InChIKey is BPJOFBQVXSRKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H68N2O2/c65-61-47-29-13-15-31-55(47)63(59-49(41-21-5-6-22-41)33-45(39-17-1-2-18-39)34-50(59)42-23-7-8-24-42)57-37-54-58(38-53(57)61)64(56-32-16-14-30-48(56)62(54)66)60-51(43-25-9-10-26-43)35-46(40-19-3-4-20-40)36-52(60)44-27-11-12-28-44/h13-16,29-44H,1-12,17-28H2.
What are the key properties of 5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione?
5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione has a molecular weight of 873.24 g/mol, XLogP of 16.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(2,4,6-tricyclopentylphenyl)quinolino[2,3-b]acridine-7,14-dione is sourced from PubChem (CID 166496189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).