N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine

C27H21NO — CID 130266840

IUPACN-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C27H21NO/c1-27(2)21-10-5-3-8-18(21)19-15-14-17(16-22(19)27)28-23-11-7-13-25-26(23)20-9-4-6-12-24(20)29-25/h3-16,28H,1-2H3
InChIKeySPMRLYHNCGOGGA-UHFFFAOYSA-N
MW375.47 g/mol
LogP7.64
Rot. Bonds2

About N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine

N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine (PubChem CID 130266840) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine
PubChem CID130266840
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC NameN-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C27H21NO/c1-27(2)21-10-5-3-8-18(21)19-15-14-17(16-22(19)27)28-23-11-7-13-25-26(23)20-9-4-6-12-24(20)29-25/h3-16,28H,1-2H3
InChIKeySPMRLYHNCGOGGA-UHFFFAOYSA-N
XLogP7.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine (CID 130266840) is N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(Nc3cccc4oc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine?
The InChIKey is SPMRLYHNCGOGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO/c1-27(2)21-10-5-3-8-18(21)19-15-14-17(16-22(19)27)28-23-11-7-13-25-26(23)20-9-4-6-12-24(20)29-25/h3-16,28H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine?
N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine has a molecular weight of 375.47 g/mol, XLogP of 7.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine is sourced from PubChem (CID 130266840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).