N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine

C55H38N2 — CID 135166793

IUPACN,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C55H38N2/c1-4-19-39(20-5-1)40-35-37-41(38-36-40)44-25-11-15-31-50(44)56(42-21-6-2-7-22-42)53-34-18-30-49-54(53)45-26-10-12-27-46(45)55(49)47-28-13-16-32-51(47)57(43-23-8-3-9-24-43)52-33-17-14-29-48(52)55/h1-38H
InChIKeyOICFRNFUZMAHRV-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.64
Rot. Bonds6

About N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine

N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine (PubChem CID 135166793) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
PubChem CID135166793
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC NameN,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C55H38N2/c1-4-19-39(20-5-1)40-35-37-41(38-36-40)44-25-11-15-31-50(44)56(42-21-6-2-7-22-42)53-34-18-30-49-54(53)45-26-10-12-27-46(45)55(49)47-28-13-16-32-51(47)57(43-23-8-3-9-24-43)52-33-17-14-29-48(52)55/h1-38H
InChIKeyOICFRNFUZMAHRV-UHFFFAOYSA-N
XLogP14.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
The IUPAC name of N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine (CID 135166793) is N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine.
What is the SMILES notation for N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
The canonical SMILES for N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.
What is the InChIKey of N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
The InChIKey is OICFRNFUZMAHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-4-19-39(20-5-1)40-35-37-41(38-36-40)44-25-11-15-31-50(44)56(42-21-6-2-7-22-42)53-34-18-30-49-54(53)45-26-10-12-27-46(45)55(49)47-28-13-16-32-51(47)57(43-23-8-3-9-24-43)52-33-17-14-29-48(52)55/h1-38H.
What are the key properties of N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine?
N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine has a molecular weight of 726.92 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine is sourced from PubChem (CID 135166793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).