N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine

C27H21NO — CID 129021000

IUPACN-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cc(Nc3cccc4c3oc3ccccc34)ccc21
InChIInChI=1S/C27H21NO/c1-27(2)22-11-5-3-8-18(22)21-16-17(14-15-23(21)27)28-24-12-7-10-20-19-9-4-6-13-25(19)29-26(20)24/h3-16,28H,1-2H3
InChIKeyUJUSXNVAARLCDH-UHFFFAOYSA-N
MW375.47 g/mol
LogP7.64
Rot. Bonds2

About N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine

N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine (PubChem CID 129021000) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine
PubChem CID129021000
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC NameN-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cc(Nc3cccc4c3oc3ccccc34)ccc21
InChIInChI=1S/C27H21NO/c1-27(2)22-11-5-3-8-18(22)21-16-17(14-15-23(21)27)28-24-12-7-10-20-19-9-4-6-13-25(19)29-26(20)24/h3-16,28H,1-2H3
InChIKeyUJUSXNVAARLCDH-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-3-yl)dibenzofuran-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine (CID 129021000) is N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2cc(Nc3cccc4c3oc3ccccc34)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine?
The InChIKey is UJUSXNVAARLCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO/c1-27(2)22-11-5-3-8-18(22)21-16-17(14-15-23(21)27)28-24-12-7-10-20-19-9-4-6-13-25(19)29-26(20)24/h3-16,28H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine?
N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-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-3-yl)dibenzofuran-4-amine is sourced from PubChem (CID 129021000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).