N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine

C75H47NOS — CID 138476077

About N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine

N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine (PubChem CID 138476077) has the molecular formula C75H47NOS and a molecular weight of 1010.27 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
• PubChem CID: 138476077
• Molecular Formula: C75H47NOS
• Molecular Weight: 1010.27 g/mol
• Exact Mass: 1009.34
• IUPAC Name: N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4ccc5c(c4)-c4ccccc4C54c5ccccc5Sc5ccccc54)cc32)cc1
• InChI: InChI=1S/C75H47NOS/c1-3-21-48(22-4-1)73(49-23-5-2-6-24-49)59-28-10-7-25-53(59)56-42-39-52(47-68(56)73)76(50-40-43-62-57(45-50)54-26-8-11-29-60(54)74(62)64-31-13-17-35-69(64)77-70-36-18-14-32-65(70)74)51-41-44-63-58(46-51)55-27-9-12-30-61(55)75(63)66-33-15-19-37-71(66)78-72-38-20-16-34-67(72)75/h1-47H
• InChIKey: JCZXLUDHGYJMCK-UHFFFAOYSA-N
• XLogP: 18.82
• TPSA: 12.47 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1010.27
LogP ≤ 5	18.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?

The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine (CID 138476077) is N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4ccc5c(c4)-c4ccccc4C54c5ccccc5Sc5ccccc54)cc32)cc1.

What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?

The InChIKey is JCZXLUDHGYJMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H47NOS/c1-3-21-48(22-4-1)73(49-23-5-2-6-24-49)59-28-10-7-25-53(59)56-42-39-52(47-68(56)73)76(50-40-43-62-57(45-50)54-26-8-11-29-60(54)74(62)64-31-13-17-35-69(64)77-70-36-18-14-32-65(70)74)51-41-44-63-58(46-51)55-27-9-12-30-61(55)75(63)66-33-15-19-37-71(66)78-72-38-20-16-34-67(72)75/h1-47H.

What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?

N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine has a molecular weight of 1010.27 g/mol, XLogP of 18.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine is sourced from PubChem (CID 138476077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).