4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline

C29H28N2 — CID 174895808

IUPAC4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline
SMILESCc1cc(-c2ccc3c(c2)Cc2ccc(-c4cc(C)c(N)c(C)c4)cc2-3)cc(C)c1N
InChIInChI=1S/C29H28N2/c1-16-9-23(10-17(2)28(16)30)20-7-8-26-25(13-20)14-22-6-5-21(15-27(22)26)24-11-18(3)29(31)19(4)12-24/h5-13,15H,14,30-31H2,1-4H3
InChIKeyBVQSQXXBNOIOPB-UHFFFAOYSA-N
MW404.56 g/mol
LogP6.99
Rot. Bonds2

About 4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline

4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline (PubChem CID 174895808) has the molecular formula C29H28N2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline
PubChem CID174895808
Molecular FormulaC29H28N2
Molecular Weight404.56 g/mol
Exact Mass404.23
IUPAC Name4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline
SMILESCc1cc(-c2ccc3c(c2)Cc2ccc(-c4cc(C)c(N)c(C)c4)cc2-3)cc(C)c1N
InChIInChI=1S/C29H28N2/c1-16-9-23(10-17(2)28(16)30)20-7-8-26-25(13-20)14-22-6-5-21(15-27(22)26)24-11-18(3)29(31)19(4)12-24/h5-13,15H,14,30-31H2,1-4H3
InChIKeyBVQSQXXBNOIOPB-UHFFFAOYSA-N
XLogP6.99
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-(4-methylphenyl)-9H-fluoren-2-amine
CID 59742324
bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride
CID 69109128
3-(6-methylnaphthalen-2-yl)-9H-fluorene
CID 123870070
4-[4-(4-amino-3,5-dimethylphenyl)-3-propan-2-ylphenyl]-2,6-dimethylaniline
CID 67742579
10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
CID 157144570
4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline
CID 121465169
3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium
CID 174651733
4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride
CID 51066481
4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride
CID 172858062
2,7-dimethyl-6,12-dihydroindeno[1,2-b]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene;2,9-dimethyl-6,12-dihydroindeno[1,2-b]fluorene;bis(2-methyl-7-(3-methylphenyl)-9H-fluorene);bis(2-methyl-7-(4-methylphenyl)-9H-fluorene);6-methyl-2-(3-methylphenyl)-9H-fluorene;6-methyl-2-(4-methylphenyl)-9H-fluorene
CID 159386502
2,7-bis(4-methoxyphenyl)-9H-fluorene
CID 67050058
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
CID 159931910

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline?
The IUPAC name of 4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline (CID 174895808) is 4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline.
What is the SMILES notation for 4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline?
The canonical SMILES for 4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline is Cc1cc(-c2ccc3c(c2)Cc2ccc(-c4cc(C)c(N)c(C)c4)cc2-3)cc(C)c1N.
What is the InChIKey of 4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline?
The InChIKey is BVQSQXXBNOIOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2/c1-16-9-23(10-17(2)28(16)30)20-7-8-26-25(13-20)14-22-6-5-21(15-27(22)26)24-11-18(3)29(31)19(4)12-24/h5-13,15H,14,30-31H2,1-4H3.
What are the key properties of 4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline?
4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline has a molecular weight of 404.56 g/mol, XLogP of 6.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-amino-3,5-dimethylphenyl)-9H-fluoren-2-yl]-2,6-dimethylaniline is sourced from PubChem (CID 174895808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).