8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one

C64H41NO2S — CID 145049967

About 8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one

8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one (PubChem CID 145049967) has the molecular formula C64H41NO2S and a molecular weight of 888.10 g/mol. Its IUPAC name is 8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one.

Molecular Properties

• Compound Name: 8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one
• PubChem CID: 145049967
• Molecular Formula: C64H41NO2S
• Molecular Weight: 888.10 g/mol
• Exact Mass: 887.29
• IUPAC Name: 8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one
• SMILES: O=c1oc2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)-c5ccccc5C6CCc5ccccc5)ccc3n4-c3ccccc3)ccc2c2ccc(-c3cccc4sc5ccccc5c34)cc12
• InChI: InChI=1S/C64H41NO2S/c66-64-57-37-44(46-19-11-21-62-63(46)53-18-9-10-20-61(53)68-62)25-30-51(57)52-31-24-43(38-60(52)67-64)42-27-33-59-56(36-42)55-35-41(26-32-58(55)65(59)45-14-5-2-6-15-45)40-23-29-50-49(28-22-39-12-3-1-4-13-39)47-16-7-8-17-48(47)54(50)34-40/h1-21,23-27,29-38,49H,22,28H2
• InChIKey: NOLLXNPKWVQQOZ-UHFFFAOYSA-N
• XLogP: 17.16
• TPSA: 35.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.10
LogP ≤ 5	17.16
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 8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one?

The IUPAC name of 8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one (CID 145049967) is 8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one.

What is the SMILES notation for 8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one?

The canonical SMILES for 8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one is O=c1oc2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)-c5ccccc5C6CCc5ccccc5)ccc3n4-c3ccccc3)ccc2c2ccc(-c3cccc4sc5ccccc5c34)cc12.

What is the InChIKey of 8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one?

The InChIKey is NOLLXNPKWVQQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO2S/c66-64-57-37-44(46-19-11-21-62-63(46)53-18-9-10-20-61(53)68-62)25-30-51(57)52-31-24-43(38-60(52)67-64)42-27-33-59-56(36-42)55-35-41(26-32-58(55)65(59)45-14-5-2-6-15-45)40-23-29-50-49(28-22-39-12-3-1-4-13-39)47-16-7-8-17-48(47)54(50)34-40/h1-21,23-27,29-38,49H,22,28H2.

What are the key properties of 8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one?

8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one has a molecular weight of 888.10 g/mol, XLogP of 17.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one is sourced from PubChem (CID 145049967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).