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

C72H45NO2 — CID 138476405

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

N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine (PubChem CID 138476405) 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[g]fluorene-7,9'-xanthene]-9-amine.

Molecular Properties

• Compound Name: N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
• PubChem CID: 138476405
• 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[g]fluorene-7,9'-xanthene]-9-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccc6ccccc6c4-5)cc3)cc2)cc1
• InChI: InChI=1S/C72H45NO2/c1-2-16-46(17-3-1)47-30-32-48(33-31-47)49-34-37-51(38-35-49)73(52-39-41-56-55-20-6-7-21-58(55)71(64(56)44-52)59-22-8-12-26-66(59)74-67-27-13-9-23-60(67)71)53-40-42-57-65(45-53)72(63-43-36-50-18-4-5-19-54(50)70(57)63)61-24-10-14-28-68(61)75-69-29-15-11-25-62(69)72/h1-45H
• InChIKey: JZTPPVUDUJYBRH-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[g]fluorene-7,9'-xanthene]-9-amine?

The IUPAC name of N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine (CID 138476405) is N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine.

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

The canonical SMILES for N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccc6ccccc6c4-5)cc3)cc2)cc1.

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

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

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

N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-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[g]fluorene-7,9'-xanthene]-9-amine is sourced from PubChem (CID 138476405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).