N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine

C72H45NO2 — CID 138477387

About N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine

N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine (PubChem CID 138477387) has the molecular formula C72H45NO2 and a molecular weight of 956.16 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine.

Molecular Properties

• Compound Name: N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine
• PubChem CID: 138477387
• Molecular Formula: C72H45NO2
• Molecular Weight: 956.16 g/mol
• Exact Mass: 955.35
• IUPAC Name: N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c4cccc5ccc6c(c45)-c4ccccc4C64c5ccccc5Oc5ccccc54)cc3)cc2)cc1
• InChI: InChI=1S/C72H45NO2/c1-2-17-46(18-3-1)47-33-35-48(36-34-47)49-37-40-51(41-38-49)73(52-42-43-54-53-20-4-6-22-56(53)72(63(54)45-52)60-26-10-14-31-67(60)75-68-32-15-11-27-61(68)72)64-28-16-19-50-39-44-62-70(69(50)64)55-21-5-7-23-57(55)71(62)58-24-8-12-29-65(58)74-66-30-13-9-25-59(66)71/h1-45H
• InChIKey: QLKDKPCJIABIGD-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-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine?

The IUPAC name of N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine (CID 138477387) is N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine.

What is the SMILES notation for N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine?

The canonical SMILES for N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c4cccc5ccc6c(c45)-c4ccccc4C64c5ccccc5Oc5ccccc54)cc3)cc2)cc1.

What is the InChIKey of N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine?

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

What are the key properties of N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine?

N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-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-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[c]fluorene-7,9'-xanthene]-1-amine is sourced from PubChem (CID 138477387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).