N-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C43H28FN — CID 66807502

IUPACN-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESFc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C43H28FN/c44-31-20-24-33(25-21-31)45(32-22-18-30(19-23-32)29-10-2-1-3-11-29)34-26-27-38-37-14-6-9-17-41(37)43(42(38)28-34)39-15-7-4-12-35(39)36-13-5-8-16-40(36)43/h1-28H
InChIKeyLBTZEQVRGDWQLH-UHFFFAOYSA-N
MW577.70 g/mol
LogP11.31
Rot. Bonds4

About N-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 66807502) has the molecular formula C43H28FN and a molecular weight of 577.70 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID66807502
Molecular FormulaC43H28FN
Molecular Weight577.70 g/mol
Exact Mass577.22
IUPAC NameN-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESFc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C43H28FN/c44-31-20-24-33(25-21-31)45(32-22-18-30(19-23-32)29-10-2-1-3-11-29)34-26-27-38-37-14-6-9-17-41(37)43(42(38)28-34)39-15-7-4-12-35(39)36-13-5-8-16-40(36)43/h1-28H
InChIKeyLBTZEQVRGDWQLH-UHFFFAOYSA-N
XLogP11.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.70
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 66807502) is N-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is Fc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is LBTZEQVRGDWQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28FN/c44-31-20-24-33(25-21-31)45(32-22-18-30(19-23-32)29-10-2-1-3-11-29)34-26-27-38-37-14-6-9-17-41(37)43(42(38)28-34)39-15-7-4-12-35(39)36-13-5-8-16-40(36)43/h1-28H.
What are the key properties of N-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 577.70 g/mol, XLogP of 11.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 66807502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).