6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione

C31H20N2O2 — CID 155773610

IUPAC6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCN1C(=O)c2cccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc(c23)C1=O
InChIInChI=1S/C31H20N2O2/c1-32-30(34)25-10-6-9-24-21(17-18-26(29(24)25)31(32)35)19-13-15-20(16-14-19)33-27-11-4-2-7-22(27)23-8-3-5-12-28(23)33/h2-18H,1H3
InChIKeyLKDDUXZJQYLEBV-UHFFFAOYSA-N
MW452.51 g/mol
LogP6.83
Rot. Bonds2

About 6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione

6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione (PubChem CID 155773610) has the molecular formula C31H20N2O2 and a molecular weight of 452.51 g/mol. Its IUPAC name is 6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione
PubChem CID155773610
Molecular FormulaC31H20N2O2
Molecular Weight452.51 g/mol
Exact Mass452.15
IUPAC Name6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCN1C(=O)c2cccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc(c23)C1=O
InChIInChI=1S/C31H20N2O2/c1-32-30(34)25-10-6-9-24-21(17-18-26(29(24)25)31(32)35)19-13-15-20(16-14-19)33-27-11-4-2-7-22(27)23-8-3-5-12-28(23)33/h2-18H,1H3
InChIKeyLKDDUXZJQYLEBV-UHFFFAOYSA-N
XLogP6.83
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
CID 118580860
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
6-[9-(4-fluoranthen-3-ylphenyl)carbazol-3-yl]-2-[9-(3-fluoranthen-3-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420632
3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
CID 71291318
6-[4-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)naphthalen-1-yl]-2-phenylbenzo[de]isoquinoline-1,3-dione;6-[4-(1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl)phenyl]-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 158544126
[4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane
CID 152550272
16-methyl-5-(2-methyl-1,3-dioxobenzo[de]isoquinolin-6-yl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione
CID 58151073
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-[4-[4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 176632540

Frequently Asked Questions

What is the IUPAC name of 6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione (CID 155773610) is 6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione is CN1C(=O)c2cccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc(c23)C1=O.
What is the InChIKey of 6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is LKDDUXZJQYLEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O2/c1-32-30(34)25-10-6-9-24-21(17-18-26(29(24)25)31(32)35)19-13-15-20(16-14-19)33-27-11-4-2-7-22(27)23-8-3-5-12-28(23)33/h2-18H,1H3.
What are the key properties of 6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione?
6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 452.51 g/mol, XLogP of 6.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 155773610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).