3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline

C31H23NO — CID 151877330

IUPAC3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline
SMILESNc1cccc(Oc2ccc(-c3cccc4c3Cc3ccccc3-4)cc2-c2ccccc2)c1
InChIInChI=1S/C31H23NO/c32-24-11-6-12-25(20-24)33-31-17-16-23(18-29(31)21-8-2-1-3-9-21)27-14-7-15-28-26-13-5-4-10-22(26)19-30(27)28/h1-18,20H,19,32H2
InChIKeySNYLVSVMEWHYJP-UHFFFAOYSA-N
MW425.53 g/mol
LogP7.97
Rot. Bonds4

About 3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline

3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline (PubChem CID 151877330) has the molecular formula C31H23NO and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline.

Molecular Properties

Compound Name3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline
PubChem CID151877330
Molecular FormulaC31H23NO
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline
SMILESNc1cccc(Oc2ccc(-c3cccc4c3Cc3ccccc3-4)cc2-c2ccccc2)c1
InChIInChI=1S/C31H23NO/c32-24-11-6-12-25(20-24)33-31-17-16-23(18-29(31)21-8-2-1-3-9-21)27-14-7-15-28-26-13-5-4-10-22(26)19-30(27)28/h1-18,20H,19,32H2
InChIKeySNYLVSVMEWHYJP-UHFFFAOYSA-N
XLogP7.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[4-[1-[4-[2-(3-aminophenoxy)phenyl]phenyl]-9H-fluoren-2-yl]phenyl]phenoxy]aniline
CID 158125426
4-[4-(9H-fluoren-1-yl)phenoxy]aniline
CID 141303700
4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine
CID 176653688
3-[2-(9H-fluoren-4-yl)phenoxy]aniline
CID 150306934
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 161432491
3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline
CID 150438083
4-(3-aminophenyl)-3-phenoxyaniline
CID 68785686
2-(9H-fluoren-1-yl)anthracene
CID 151119003
9H-fluoren-4-amine;1-phenyl-9H-fluorene
CID 175396170
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
3-[2,5-bis(4-aminophenyl)phenoxy]aniline
CID 161035484

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline?
The IUPAC name of 3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline (CID 151877330) is 3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline.
What is the SMILES notation for 3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline?
The canonical SMILES for 3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline is Nc1cccc(Oc2ccc(-c3cccc4c3Cc3ccccc3-4)cc2-c2ccccc2)c1.
What is the InChIKey of 3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline?
The InChIKey is SNYLVSVMEWHYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO/c32-24-11-6-12-25(20-24)33-31-17-16-23(18-29(31)21-8-2-1-3-9-21)27-14-7-15-28-26-13-5-4-10-22(26)19-30(27)28/h1-18,20H,19,32H2.
What are the key properties of 3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline?
3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline has a molecular weight of 425.53 g/mol, XLogP of 7.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline is sourced from PubChem (CID 151877330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).