N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine

C74H48N2S — CID 155240522

About N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine

N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 155240522) has the molecular formula C74H48N2S and a molecular weight of 997.28 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
• PubChem CID: 155240522
• Molecular Formula: C74H48N2S
• Molecular Weight: 997.28 g/mol
• Exact Mass: 996.35
• IUPAC Name: N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
• SMILES: c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccc(N(c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc43)c3ccccc32)cc1
• InChI: InChI=1S/C74H48N2S/c1-4-20-51(21-5-1)73(52-22-6-2-7-23-52)63-29-13-10-26-57(63)59-43-41-55(47-67(59)73)75(54-39-36-49(37-40-54)50-38-45-72-62(46-50)61-28-12-19-35-71(61)77-72)56-42-44-60-58-27-11-14-30-64(58)74(68(60)48-56)65-31-15-17-33-69(65)76(53-24-8-3-9-25-53)70-34-18-16-32-66(70)74/h1-48H
• InChIKey: MOYLNZSJWQAXKV-UHFFFAOYSA-N
• XLogP: 19.70
• TPSA: 6.48 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.28
LogP ≤ 5	19.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?

The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine (CID 155240522) is N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine.

What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?

The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine is c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccc(N(c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc43)c3ccccc32)cc1.

What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?

The InChIKey is MOYLNZSJWQAXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2S/c1-4-20-51(21-5-1)73(52-22-6-2-7-23-52)63-29-13-10-26-57(63)59-43-41-55(47-67(59)73)75(54-39-36-49(37-40-54)50-38-45-72-62(46-50)61-28-12-19-35-71(61)77-72)56-42-44-60-58-27-11-14-30-64(58)74(68(60)48-56)65-31-15-17-33-69(65)76(53-24-8-3-9-25-53)70-34-18-16-32-66(70)74/h1-48H.

What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?

N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine has a molecular weight of 997.28 g/mol, XLogP of 19.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 155240522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).