9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine

C59H36N2S — CID 164732111

About 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine

9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine (PubChem CID 164732111) has the molecular formula C59H36N2S and a molecular weight of 805.02 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine.

Molecular Properties

• Compound Name: 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
• PubChem CID: 164732111
• Molecular Formula: C59H36N2S
• Molecular Weight: 805.02 g/mol
• Exact Mass: 804.26
• IUPAC Name: 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
• SMILES: c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cccc4cccc-3c24)c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)cc1
• InChI: InChI=1S/C59H36N2S/c1-2-16-38(17-3-1)60(41-29-32-46-45-20-6-10-26-54(45)61(55(46)36-41)39-30-33-57-49(34-39)47-21-7-11-27-56(47)62-57)40-28-31-44-48-22-12-14-37-15-13-25-52(58(37)48)59(53(44)35-40)50-23-8-4-18-42(50)43-19-5-9-24-51(43)59/h1-36H
• InChIKey: ISILIVZHEYDKLE-UHFFFAOYSA-N
• XLogP: 16.12
• TPSA: 8.17 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.02
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine?

The IUPAC name of 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine (CID 164732111) is 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine.

What is the SMILES notation for 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine?

The canonical SMILES for 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cccc4cccc-3c24)c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)cc1.

What is the InChIKey of 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine?

The InChIKey is ISILIVZHEYDKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2S/c1-2-16-38(17-3-1)60(41-29-32-46-45-20-6-10-26-54(45)61(55(46)36-41)39-30-33-57-49(34-39)47-21-7-11-27-56(47)62-57)40-28-31-44-48-22-12-14-37-15-13-25-52(58(37)48)59(53(44)35-40)50-23-8-4-18-42(50)43-19-5-9-24-51(43)59/h1-36H.

What are the key properties of 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine?

9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine has a molecular weight of 805.02 g/mol, XLogP of 16.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine is sourced from PubChem (CID 164732111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).