N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine

C21H21N — CID 135162890

IUPACN-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(NC3=CC=CCC3)cc21
InChIInChI=1S/C21H21N/c1-21(2)19-11-7-6-10-17(19)18-13-12-16(14-20(18)21)22-15-8-4-3-5-9-15/h3-4,6-8,10-14,22H,5,9H2,1-2H3
InChIKeyAHXWUGXCFQHVQG-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.64
Rot. Bonds2

About N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine

N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine (PubChem CID 135162890) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine
PubChem CID135162890
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC NameN-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(NC3=CC=CCC3)cc21
InChIInChI=1S/C21H21N/c1-21(2)19-11-7-6-10-17(19)18-13-12-16(14-20(18)21)22-15-8-4-3-5-9-15/h3-4,6-8,10-14,22H,5,9H2,1-2H3
InChIKeyAHXWUGXCFQHVQG-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9,9-dimethyl-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 123399255
N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
CID 163509163
CID 144628230
CID 144628230
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
N-[4-(4-fluorophenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 167260406
N-cyclohexa-1,3-dien-1-yl-4-phenylaniline
CID 134504686
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine (CID 135162890) is N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(NC3=CC=CCC3)cc21.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine?
The InChIKey is AHXWUGXCFQHVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-21(2)19-11-7-6-10-17(19)18-13-12-16(14-20(18)21)22-15-8-4-3-5-9-15/h3-4,6-8,10-14,22H,5,9H2,1-2H3.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine?
N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine has a molecular weight of 287.41 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 135162890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).