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

C49H34N2 — CID 155296991

IUPAC10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2Nc2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C49H34N2/c1-3-17-34(18-4-1)37-21-7-8-22-38(37)41-24-10-14-28-46(41)50-35-31-32-40-39-23-9-11-25-42(39)49(45(40)33-35)43-26-12-15-29-47(43)51(36-19-5-2-6-20-36)48-30-16-13-27-44(48)49/h1-33,50H
InChIKeyMHVTZAYRPSAYSU-UHFFFAOYSA-N
MW650.83 g/mol
LogP12.91
Rot. Bonds5

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

10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 155296991) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

Compound Name10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
PubChem CID155296991
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2Nc2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C49H34N2/c1-3-17-34(18-4-1)37-21-7-8-22-38(37)41-24-10-14-28-46(41)50-35-31-32-40-39-23-9-11-25-42(39)49(45(40)33-35)43-26-12-15-29-47(43)51(36-19-5-2-6-20-36)48-30-16-13-27-44(48)49/h1-33,50H
InChIKeyMHVTZAYRPSAYSU-UHFFFAOYSA-N
XLogP12.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 512.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine?
The IUPAC name of 10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine (CID 155296991) is 10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine.
What is the SMILES notation for 10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine?
The canonical SMILES for 10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine is c1ccc(-c2ccccc2-c2ccccc2Nc2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine?
The InChIKey is MHVTZAYRPSAYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-3-17-34(18-4-1)37-21-7-8-22-38(37)41-24-10-14-28-46(41)50-35-31-32-40-39-23-9-11-25-42(39)49(45(40)33-35)43-26-12-15-29-47(43)51(36-19-5-2-6-20-36)48-30-16-13-27-44(48)49/h1-33,50H.
What are the key properties of 10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine?
10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine has a molecular weight of 650.83 g/mol, XLogP of 12.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 155296991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).