N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine

C74H48N2S — CID 155240036

About N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine

N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine (PubChem CID 155240036) has the molecular formula C74H48N2S and a molecular weight of 997.28 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
• PubChem CID: 155240036
• Molecular Formula: C74H48N2S
• Molecular Weight: 997.28 g/mol
• Exact Mass: 996.35
• IUPAC Name: N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
• SMILES: c1ccc(N2c3ccccc3C3(c4ccccc4-c4c(N(c5cccc(-c6cccc7c6sc6ccccc67)c5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cccc43)c3ccccc32)cc1
• InChI: InChI=1S/C74H48N2S/c1-4-24-50(25-5-1)73(51-26-6-2-7-27-51)61-36-13-10-31-56(61)57-46-45-54(48-66(57)73)75(53-30-20-23-49(47-53)55-34-21-35-59-58-32-12-19-44-70(58)77-72(55)59)69-43-22-40-65-71(69)60-33-11-14-37-62(60)74(65)63-38-15-17-41-67(63)76(52-28-8-3-9-29-52)68-42-18-16-39-64(68)74/h1-48H
• InChIKey: HCVZPFCCRGRFQX-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-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine?

The IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine (CID 155240036) is N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine.

What is the SMILES notation for N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine?

The canonical SMILES for N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine is c1ccc(N2c3ccccc3C3(c4ccccc4-c4c(N(c5cccc(-c6cccc7c6sc6ccccc67)c5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cccc43)c3ccccc32)cc1.

What is the InChIKey of N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine?

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

What are the key properties of N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine?

N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-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-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine is sourced from PubChem (CID 155240036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).