9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine

C63H38N2S — CID 164732018

About 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine

9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine (PubChem CID 164732018) has the molecular formula C63H38N2S and a molecular weight of 855.08 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine.

Molecular Properties

• Compound Name: 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine
• PubChem CID: 164732018
• Molecular Formula: C63H38N2S
• Molecular Weight: 855.08 g/mol
• Exact Mass: 854.28
• IUPAC Name: 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c3)c3cccc4ccccc34)c3cccc1c23
• InChI: InChI=1S/C63H38N2S/c1-2-17-42-39(15-1)16-13-29-56(42)64(41-31-33-47-46-21-6-11-28-57(46)65(59(47)38-41)40-32-36-61-51(37-40)48-22-7-12-30-60(48)66-61)58-35-34-49-45-20-5-10-26-54(45)63(55-27-14-23-50(58)62(49)55)52-24-8-3-18-43(52)44-19-4-9-25-53(44)63/h1-38H
• InChIKey: AVNZTPFQUYSORR-UHFFFAOYSA-N
• XLogP: 17.27
• TPSA: 8.17 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.08
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine?

The IUPAC name of 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine (CID 164732018) is 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine.

What is the SMILES notation for 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine?

The canonical SMILES for 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c3)c3cccc4ccccc34)c3cccc1c23.

What is the InChIKey of 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine?

The InChIKey is AVNZTPFQUYSORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N2S/c1-2-17-42-39(15-1)16-13-29-56(42)64(41-31-33-47-46-21-6-11-28-57(46)65(59(47)38-41)40-32-36-61-51(37-40)48-22-7-12-30-60(48)66-61)58-35-34-49-45-20-5-10-26-54(45)63(55-27-14-23-50(58)62(49)55)52-24-8-3-18-43(52)44-19-4-9-25-53(44)63/h1-38H.

What are the key properties of 9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine?

9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine has a molecular weight of 855.08 g/mol, XLogP of 17.27, 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-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine is sourced from PubChem (CID 164732018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).