2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione

C42H33NO2 — CID 132508636

IUPAC2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3cc2C(=O)N1C1CCCCC1
InChIInChI=1S/C42H33NO2/c44-41-35-26-33-34(27-36(35)42(45)43(41)32-24-14-5-15-25-32)38(29-18-8-2-9-19-29)40(31-22-12-4-13-23-31)39(30-20-10-3-11-21-30)37(33)28-16-6-1-7-17-28/h1-4,6-13,16-23,26-27,32H,5,14-15,24-25H2
InChIKeyNCEZZAARABIDEI-UHFFFAOYSA-N
MW583.73 g/mol
LogP10.44
Rot. Bonds5

About 2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione

2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione (PubChem CID 132508636) has the molecular formula C42H33NO2 and a molecular weight of 583.73 g/mol. Its IUPAC name is 2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione
PubChem CID132508636
Molecular FormulaC42H33NO2
Molecular Weight583.73 g/mol
Exact Mass583.25
IUPAC Name2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione
SMILESO=C1c2cc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3cc2C(=O)N1C1CCCCC1
InChIInChI=1S/C42H33NO2/c44-41-35-26-33-34(27-36(35)42(45)43(41)32-24-14-5-15-25-32)38(29-18-8-2-9-19-29)40(31-22-12-4-13-23-31)39(30-20-10-3-11-21-30)37(33)28-16-6-1-7-17-28/h1-4,6-13,16-23,26-27,32H,5,14-15,24-25H2
InChIKeyNCEZZAARABIDEI-UHFFFAOYSA-N
XLogP10.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.73
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione with MolForge

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Related Compounds

2-cyclodecylisoindole-1,3-dione
CID 123786237
2-cyclohexyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)isoindole-1,3-dione
CID 17360365
7,18-dicyclohexyl-11,22-bis[(E)-2-phenylethenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
CID 122398764
6,13-dicyclohexyl-2-(2-phenylethynyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
CID 176771046
2-cyclohexyl-6-[4-[4-(2-cyclohexyl-1,3-dioxobenzo[de]isoquinolin-6-yl)phenyl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 137492349
1-cyclohexyl-6-phenyl-3,4-dihydropyridin-2-one
CID 10777410
2-cycloheptyl-4H-isoquinoline-1,3-dione
CID 82132343
2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 59861066
1-cycloheptyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110559665
1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110559627
7,18-dicyclohexyl-11,22-di(piperidin-1-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
CID 15426328
6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione
CID 18400496

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione?
The IUPAC name of 2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione (CID 132508636) is 2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione.
What is the SMILES notation for 2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione?
The canonical SMILES for 2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione is O=C1c2cc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3cc2C(=O)N1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione?
The InChIKey is NCEZZAARABIDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33NO2/c44-41-35-26-33-34(27-36(35)42(45)43(41)32-24-14-5-15-25-32)38(29-18-8-2-9-19-29)40(31-22-12-4-13-23-31)39(30-20-10-3-11-21-30)37(33)28-16-6-1-7-17-28/h1-4,6-13,16-23,26-27,32H,5,14-15,24-25H2.
What are the key properties of 2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione?
2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione has a molecular weight of 583.73 g/mol, XLogP of 10.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione is sourced from PubChem (CID 132508636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).