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

C59H36N2OS — CID 164794408

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

N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine (PubChem CID 164794408) has the molecular formula C59H36N2OS and a molecular weight of 821.02 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine.

Molecular Properties

• Compound Name: N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
• PubChem CID: 164794408
• Molecular Formula: C59H36N2OS
• Molecular Weight: 821.02 g/mol
• Exact Mass: 820.25
• IUPAC Name: N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
• SMILES: c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cccc6cccc-5c46)c4cccc5sc6ccccc6c45)cc32)cc1
• InChI: InChI=1S/C59H36N2OS/c1-2-17-38(18-3-1)61-50-25-8-4-19-42(50)43-34-32-40(36-52(43)61)60(51-26-14-30-56-58(51)45-20-5-11-29-55(45)63-56)39-31-33-41-44-21-12-15-37-16-13-24-48(57(37)44)59(49(41)35-39)46-22-6-9-27-53(46)62-54-28-10-7-23-47(54)59/h1-36H
• InChIKey: WZMWOTRMLKKACE-UHFFFAOYSA-N
• XLogP: 16.24
• TPSA: 17.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.02
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine (CID 164794408) is N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine.

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

The canonical SMILES for N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cccc6cccc-5c46)c4cccc5sc6ccccc6c45)cc32)cc1.

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

The InChIKey is WZMWOTRMLKKACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2OS/c1-2-17-38(18-3-1)61-50-25-8-4-19-42(50)43-34-32-40(36-52(43)61)60(51-26-14-30-56-58(51)45-20-5-11-29-55(45)63-56)39-31-33-41-44-21-12-15-37-16-13-24-48(57(37)44)59(49(41)35-39)46-22-6-9-27-53(46)62-54-28-10-7-23-47(54)59/h1-36H.

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

N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine has a molecular weight of 821.02 g/mol, XLogP of 16.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine is sourced from PubChem (CID 164794408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).