N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine

C72H45NO2 — CID 138477870

About N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine

N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine (PubChem CID 138477870) has the molecular formula C72H45NO2 and a molecular weight of 956.16 g/mol. Its IUPAC name is N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine.

Molecular Properties

• Compound Name: N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
• PubChem CID: 138477870
• Molecular Formula: C72H45NO2
• Molecular Weight: 956.16 g/mol
• Exact Mass: 955.35
• IUPAC Name: N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
• SMILES: c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3cc5ccccc5cc3C43c4ccccc4Oc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)cc2)cc1
• InChI: InChI=1S/C72H45NO2/c1-2-19-46(20-3-1)47-37-39-48(40-38-47)52-23-7-13-31-64(52)73(65-32-18-30-62-70(65)53-24-6-8-25-56(53)71(62)58-26-9-14-33-66(58)74-67-34-15-10-27-59(67)71)51-41-42-57-55(45-51)54-43-49-21-4-5-22-50(49)44-63(54)72(57)60-28-11-16-35-68(60)75-69-36-17-12-29-61(69)72/h1-45H
• InChIKey: NLMNWKVFOFKTDK-UHFFFAOYSA-N
• XLogP: 18.58
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.16
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine?

The IUPAC name of N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine (CID 138477870) is N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine.

What is the SMILES notation for N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine?

The canonical SMILES for N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3cc5ccccc5cc3C43c4ccccc4Oc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)cc2)cc1.

What is the InChIKey of N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine?

The InChIKey is NLMNWKVFOFKTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H45NO2/c1-2-19-46(20-3-1)47-37-39-48(40-38-47)52-23-7-13-31-64(52)73(65-32-18-30-62-70(65)53-24-6-8-25-56(53)71(62)58-26-9-14-33-66(58)74-67-34-15-10-27-59(67)71)51-41-42-57-55(45-51)54-43-49-21-4-5-22-50(49)44-63(54)72(57)60-28-11-16-35-68(60)75-69-36-17-12-29-61(69)72/h1-45H.

What are the key properties of N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine?

N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine has a molecular weight of 956.16 g/mol, XLogP of 18.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine is sourced from PubChem (CID 138477870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).