N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine

C72H45NO2 — CID 138477419

About N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine

N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine (PubChem CID 138477419) 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]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine.

Molecular Properties

• Compound Name: N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine
• PubChem CID: 138477419
• 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]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine
• SMILES: c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3cccc4c3-c3ccc5ccccc5c3C43c4ccccc4Oc4ccccc43)cc2)cc1
• InChI: InChI=1S/C72H45NO2/c1-2-19-46(20-3-1)47-37-39-49(40-38-47)51-22-7-13-31-63(51)73(50-42-44-54-53-24-6-8-25-56(53)71(62(54)45-50)57-26-9-14-33-65(57)74-66-34-15-10-27-58(66)71)64-32-18-30-61-69(64)55-43-41-48-21-4-5-23-52(48)70(55)72(61)59-28-11-16-35-67(59)75-68-36-17-12-29-60(68)72/h1-45H
• InChIKey: SDIYASXGJPCUQW-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]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine?

The IUPAC name of N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine (CID 138477419) is N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine.

What is the SMILES notation for N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine?

The canonical SMILES for N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3cccc4c3-c3ccc5ccccc5c3C43c4ccccc4Oc4ccccc43)cc2)cc1.

What is the InChIKey of N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine?

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

What are the key properties of N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine?

N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-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]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine is sourced from PubChem (CID 138477419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).