N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine

C63H41NO — CID 170117119

About N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine

N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 170117119) has the molecular formula C63H41NO and a molecular weight of 828.03 g/mol. Its IUPAC name is N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

• Compound Name: N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
• PubChem CID: 170117119
• Molecular Formula: C63H41NO
• Molecular Weight: 828.03 g/mol
• Exact Mass: 827.32
• IUPAC Name: N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
• SMILES: c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3c(ccc4ccccc43)c2)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
• InChI: InChI=1S/C63H41NO/c1-2-19-42(20-3-1)47-23-6-7-24-49(47)50-25-8-9-26-51(50)52-27-11-15-33-58(52)64(45-39-40-48-44(41-45)38-37-43-21-4-5-22-46(43)48)59-34-18-32-57-62(59)53-28-10-12-29-54(53)63(57)55-30-13-16-35-60(55)65-61-36-17-14-31-56(61)63/h1-41H
• InChIKey: IGRIFADNBACUKH-UHFFFAOYSA-N
• XLogP: 16.93
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.03
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine?

The IUPAC name of N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine (CID 170117119) is N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine.

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

The canonical SMILES for N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc3c(ccc4ccccc43)c2)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1.

What is the InChIKey of N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine?

The InChIKey is IGRIFADNBACUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41NO/c1-2-19-42(20-3-1)47-23-6-7-24-49(47)50-25-8-9-26-51(50)52-27-11-15-33-58(52)64(45-39-40-48-44(41-45)38-37-43-21-4-5-22-46(43)48)59-34-18-32-57-62(59)53-28-10-12-29-54(53)63(57)55-30-13-16-35-60(55)65-61-36-17-14-31-56(61)63/h1-41H.

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

N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine has a molecular weight of 828.03 g/mol, XLogP of 16.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 170117119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).