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

C63H38N2OS — CID 164794886

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

9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine (PubChem CID 164794886) has the molecular formula C63H38N2OS and a molecular weight of 871.08 g/mol. Its IUPAC name is 9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine.

Molecular Properties

• Compound Name: 9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
• PubChem CID: 164794886
• Molecular Formula: C63H38N2OS
• Molecular Weight: 871.08 g/mol
• Exact Mass: 870.27
• IUPAC Name: 9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
• SMILES: c1ccc2c(c1)Oc1ccccc1C21c2cc(N(c3ccc4c5ccccc5n(-c5ccc6c(c5)sc5ccccc56)c4c3)c3cccc4ccccc34)ccc2-c2cccc3cccc1c23
• InChI: InChI=1S/C63H38N2OS/c1-2-18-44-39(14-1)15-13-26-55(44)64(42-31-34-47-46-19-3-7-25-56(46)65(57(47)37-42)43-32-35-49-48-20-4-10-29-60(48)67-61(49)38-43)41-30-33-45-50-21-11-16-40-17-12-24-53(62(40)50)63(54(45)36-41)51-22-5-8-27-58(51)66-59-28-9-6-23-52(59)63/h1-38H
• InChIKey: RIPBGYDJPGHOKZ-UHFFFAOYSA-N
• XLogP: 17.40
• TPSA: 17.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.08
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine (CID 164794886) is 9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine.

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

The canonical SMILES for 9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine is c1ccc2c(c1)Oc1ccccc1C21c2cc(N(c3ccc4c5ccccc5n(-c5ccc6c(c5)sc5ccccc56)c4c3)c3cccc4ccccc34)ccc2-c2cccc3cccc1c23.

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

The InChIKey is RIPBGYDJPGHOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N2OS/c1-2-18-44-39(14-1)15-13-26-55(44)64(42-31-34-47-46-19-3-7-25-56(46)65(57(47)37-42)43-32-35-49-48-20-4-10-29-60(48)67-61(49)38-43)41-30-33-45-50-21-11-16-40-17-12-24-53(62(40)50)63(54(45)36-41)51-22-5-8-27-58(51)66-59-28-9-6-23-52(59)63/h1-38H.

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

9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine has a molecular weight of 871.08 g/mol, XLogP of 17.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine is sourced from PubChem (CID 164794886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).