2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine

C25H20N2 — CID 139983188

IUPAC2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine
SMILESc1ccc(Nc2ccccc2Nc2ccc3c(c2)Cc2ccccc2-3)cc1
InChIInChI=1S/C25H20N2/c1-2-9-20(10-3-1)26-24-12-6-7-13-25(24)27-21-14-15-23-19(17-21)16-18-8-4-5-11-22(18)23/h1-15,17,26-27H,16H2
InChIKeyFUIGTRUWSKLEFY-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.74
Rot. Bonds4

About 2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine

2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine (PubChem CID 139983188) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine
PubChem CID139983188
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine
SMILESc1ccc(Nc2ccccc2Nc2ccc3c(c2)Cc2ccccc2-3)cc1
InChIInChI=1S/C25H20N2/c1-2-9-20(10-3-1)26-24-12-6-7-13-25(24)27-21-14-15-23-19(17-21)16-18-8-4-5-11-22(18)23/h1-15,17,26-27H,16H2
InChIKeyFUIGTRUWSKLEFY-UHFFFAOYSA-N
XLogP6.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine?
The IUPAC name of 2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine (CID 139983188) is 2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine is c1ccc(Nc2ccccc2Nc2ccc3c(c2)Cc2ccccc2-3)cc1.
What is the InChIKey of 2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine?
The InChIKey is FUIGTRUWSKLEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-2-9-20(10-3-1)26-24-12-6-7-13-25(24)27-21-14-15-23-19(17-21)16-18-8-4-5-11-22(18)23/h1-15,17,26-27H,16H2.
What are the key properties of 2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine?
2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine has a molecular weight of 348.45 g/mol, XLogP of 6.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine is sourced from PubChem (CID 139983188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).