4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline

C28H25N — CID 163557328

IUPAC4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2cccc3c2C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C28H25N/c1-28(2)26-15-8-7-12-24(26)25-14-9-13-23(27(25)28)20-16-18-22(19-17-20)29(3)21-10-5-4-6-11-21/h4-19H,1-3H3
InChIKeyHCEPAEKHHXGCQY-UHFFFAOYSA-N
MW375.52 g/mol
LogP7.43
Rot. Bonds3

About 4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline

4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline (PubChem CID 163557328) has the molecular formula C28H25N and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline
PubChem CID163557328
Molecular FormulaC28H25N
Molecular Weight375.52 g/mol
Exact Mass375.20
IUPAC Name4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2cccc3c2C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C28H25N/c1-28(2)26-15-8-7-12-24(26)25-14-9-13-23(27(25)28)20-16-18-22(19-17-20)29(3)21-10-5-4-6-11-21/h4-19H,1-3H3
InChIKeyHCEPAEKHHXGCQY-UHFFFAOYSA-N
XLogP7.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline
CID 154957513
3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline
CID 154972967
1-(4-chlorophenyl)-9,9-dimethylfluorene
CID 118193752
N,9,9-trimethyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 166028580
9,9-dimethyl-N-phenyl-2-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)fluoren-1-amine
CID 167255464
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541052
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167324283
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 154972905
N,9,9-trimethyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166028533
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-1-amine
CID 170215738
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218178

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline?
The IUPAC name of 4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline (CID 163557328) is 4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline.
What is the SMILES notation for 4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline?
The canonical SMILES for 4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline is CN(c1ccccc1)c1ccc(-c2cccc3c2C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of 4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline?
The InChIKey is HCEPAEKHHXGCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N/c1-28(2)26-15-8-7-12-24(26)25-14-9-13-23(27(25)28)20-16-18-22(19-17-20)29(3)21-10-5-4-6-11-21/h4-19H,1-3H3.
What are the key properties of 4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline?
4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline has a molecular weight of 375.52 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline is sourced from PubChem (CID 163557328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).