3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one

C52H33NO3 — CID 121242499

About 3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one

3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one (PubChem CID 121242499) has the molecular formula C52H33NO3 and a molecular weight of 719.84 g/mol. Its IUPAC name is 3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one.

Molecular Properties

• Compound Name: 3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one
• PubChem CID: 121242499
• Molecular Formula: C52H33NO3
• Molecular Weight: 719.84 g/mol
• Exact Mass: 719.25
• IUPAC Name: 3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one
• SMILES: CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c(=O)oc5cc(-c7cccc8oc9ccccc9c78)ccc56)ccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C52H33NO3/c1-52(2)43-16-8-6-13-36(43)39-28-41-40-25-31(21-24-45(40)53(46(41)29-44(39)52)33-11-4-3-5-12-33)30-19-22-35-37-23-20-32(27-49(37)56-51(54)42(35)26-30)34-15-10-18-48-50(34)38-14-7-9-17-47(38)55-48/h3-29H,1-2H3
• InChIKey: IDZRKTCBCVYWOE-UHFFFAOYSA-N
• XLogP: 13.58
• TPSA: 48.28 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.84
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one?

The IUPAC name of 3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one (CID 121242499) is 3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one.

What is the SMILES notation for 3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one?

The canonical SMILES for 3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c(=O)oc5cc(-c7cccc8oc9ccccc9c78)ccc56)ccc4n(-c4ccccc4)c3cc21.

What is the InChIKey of 3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one?

The InChIKey is IDZRKTCBCVYWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO3/c1-52(2)43-16-8-6-13-36(43)39-28-41-40-25-31(21-24-45(40)53(46(41)29-44(39)52)33-11-4-3-5-12-33)30-19-22-35-37-23-20-32(27-49(37)56-51(54)42(35)26-30)34-15-10-18-48-50(34)38-14-7-9-17-47(38)55-48/h3-29H,1-2H3.

What are the key properties of 3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one?

3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one has a molecular weight of 719.84 g/mol, XLogP of 13.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one is sourced from PubChem (CID 121242499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).