4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline

C30H30N2 — CID 71318023

IUPAC4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc3c(c2)Cc2ccccc2-3)cc1
InChIInChI=1S/C30H30N2/c1-31(2)26-14-9-21(10-15-26)30(22-11-16-27(17-12-22)32(3)4)24-13-18-29-25(20-24)19-23-7-5-6-8-28(23)29/h5-18,20,30H,19H2,1-4H3
InChIKeyOWAYOTTXSVMWTB-UHFFFAOYSA-N
MW418.58 g/mol
LogP6.57
Rot. Bonds5

About 4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline

4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline (PubChem CID 71318023) has the molecular formula C30H30N2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline
PubChem CID71318023
Molecular FormulaC30H30N2
Molecular Weight418.58 g/mol
Exact Mass418.24
IUPAC Name4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc3c(c2)Cc2ccccc2-3)cc1
InChIInChI=1S/C30H30N2/c1-31(2)26-14-9-21(10-15-26)30(22-11-16-27(17-12-22)32(3)4)24-13-18-29-25(20-24)19-23-7-5-6-8-28(23)29/h5-18,20,30H,19H2,1-4H3
InChIKeyOWAYOTTXSVMWTB-UHFFFAOYSA-N
XLogP6.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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N,N-Dimethyl-9H-fluoren-2-amine
CID 25814
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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline (CID 71318023) is 4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline is CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc3c(c2)Cc2ccccc2-3)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline?
The InChIKey is OWAYOTTXSVMWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2/c1-31(2)26-14-9-21(10-15-26)30(22-11-16-27(17-12-22)32(3)4)24-13-18-29-25(20-24)19-23-7-5-6-8-28(23)29/h5-18,20,30H,19H2,1-4H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline?
4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline has a molecular weight of 418.58 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]-(9H-fluoren-2-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 71318023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).