3-(9H-fluoren-1-yl)benzene-1,2-diamine

C19H16N2 — CID 66643080

IUPAC3-(9H-fluoren-1-yl)benzene-1,2-diamine
SMILESNc1cccc(-c2cccc3c2Cc2ccccc2-3)c1N
InChIInChI=1S/C19H16N2/c20-18-10-4-9-16(19(18)21)15-8-3-7-14-13-6-2-1-5-12(13)11-17(14)15/h1-10H,11,20-21H2
InChIKeyWBXGOTNZPFWYNU-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.09
Rot. Bonds1

About 3-(9H-fluoren-1-yl)benzene-1,2-diamine

3-(9H-fluoren-1-yl)benzene-1,2-diamine (PubChem CID 66643080) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(9H-fluoren-1-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-(9H-fluoren-1-yl)benzene-1,2-diamine
PubChem CID66643080
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name3-(9H-fluoren-1-yl)benzene-1,2-diamine
SMILESNc1cccc(-c2cccc3c2Cc2ccccc2-3)c1N
InChIInChI=1S/C19H16N2/c20-18-10-4-9-16(19(18)21)15-8-3-7-14-13-6-2-1-5-12(13)11-17(14)15/h1-10H,11,20-21H2
InChIKeyWBXGOTNZPFWYNU-UHFFFAOYSA-N
XLogP4.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline
CID 70405574
9H-fluoren-4-amine;1-phenyl-9H-fluorene
CID 175396170
2-(9H-fluoren-1-yl)-9H-carbazol-1-amine
CID 172636197
2-chloro-9H-fluoren-1-amine
CID 150811433
CID 123562270
CID 123562270
Fluorenylsilane
CID 22104606
1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one
CID 67943327
4-[4-(9H-fluoren-1-yl)phenoxy]aniline
CID 141303700
6-(9H-fluoren-1-yl)-1,2,4-triazine-3,5-diamine
CID 118588652
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-1-yl)benzene-1,2-diamine?
The IUPAC name of 3-(9H-fluoren-1-yl)benzene-1,2-diamine (CID 66643080) is 3-(9H-fluoren-1-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-(9H-fluoren-1-yl)benzene-1,2-diamine?
The canonical SMILES for 3-(9H-fluoren-1-yl)benzene-1,2-diamine is Nc1cccc(-c2cccc3c2Cc2ccccc2-3)c1N.
What is the InChIKey of 3-(9H-fluoren-1-yl)benzene-1,2-diamine?
The InChIKey is WBXGOTNZPFWYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c20-18-10-4-9-16(19(18)21)15-8-3-7-14-13-6-2-1-5-12(13)11-17(14)15/h1-10H,11,20-21H2.
What are the key properties of 3-(9H-fluoren-1-yl)benzene-1,2-diamine?
3-(9H-fluoren-1-yl)benzene-1,2-diamine has a molecular weight of 272.35 g/mol, XLogP of 4.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-1-yl)benzene-1,2-diamine is sourced from PubChem (CID 66643080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).