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

C63H38N2O2 — CID 164794829

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

N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine (PubChem CID 164794829) has the molecular formula C63H38N2O2 and a molecular weight of 855.01 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
• PubChem CID: 164794829
• Molecular Formula: C63H38N2O2
• Molecular Weight: 855.01 g/mol
• Exact Mass: 854.29
• IUPAC Name: N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
• SMILES: c1ccc2c(c1)Oc1ccccc1C21c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)ccc2-c2cccc3cccc1c23
• InChI: InChI=1S/C63H38N2O2/c1-2-18-44-39(14-1)15-13-26-55(44)65-56-25-7-3-19-46(56)50-36-41(32-35-57(50)65)64(43-31-34-48-47-20-4-8-27-58(47)66-61(48)38-43)42-30-33-45-49-21-11-16-40-17-12-24-53(62(40)49)63(54(45)37-42)51-22-5-9-28-59(51)67-60-29-10-6-23-52(60)63/h1-38H
• InChIKey: ZFXNFKCWKHTSRI-UHFFFAOYSA-N
• XLogP: 16.93
• TPSA: 30.54 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.01
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine (CID 164794829) is N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine.

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

The canonical SMILES for N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine is c1ccc2c(c1)Oc1ccccc1C21c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)ccc2-c2cccc3cccc1c23.

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

The InChIKey is ZFXNFKCWKHTSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N2O2/c1-2-18-44-39(14-1)15-13-26-55(44)65-56-25-7-3-19-46(56)50-36-41(32-35-57(50)65)64(43-31-34-48-47-20-4-8-27-58(47)66-61(48)38-43)42-30-33-45-49-21-11-16-40-17-12-24-53(62(40)49)63(54(45)37-42)51-22-5-9-28-59(51)67-60-29-10-6-23-52(60)63/h1-38H.

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

N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine has a molecular weight of 855.01 g/mol, XLogP of 16.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine is sourced from PubChem (CID 164794829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).