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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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).