4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline

C32H35N3 — CID 18998133

IUPAC4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
SMILESCCN(CC)c1ccc(C(c2ccc(N(C)C)cc2)n2c3ccccc3c3ccccc32)c(C)c1
InChIInChI=1S/C32H35N3/c1-6-34(7-2)26-20-21-27(23(3)22-26)32(24-16-18-25(19-17-24)33(4)5)35-30-14-10-8-12-28(30)29-13-9-11-15-31(29)35/h8-22,32H,6-7H2,1-5H3
InChIKeyQZMWXTUCJFEFLA-UHFFFAOYSA-N
MW461.65 g/mol
LogP7.65
Rot. Bonds7

About 4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline

4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline (PubChem CID 18998133) has the molecular formula C32H35N3 and a molecular weight of 461.65 g/mol. Its IUPAC name is 4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline.

Molecular Properties

Compound Name4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
PubChem CID18998133
Molecular FormulaC32H35N3
Molecular Weight461.65 g/mol
Exact Mass461.28
IUPAC Name4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
SMILESCCN(CC)c1ccc(C(c2ccc(N(C)C)cc2)n2c3ccccc3c3ccccc32)c(C)c1
InChIInChI=1S/C32H35N3/c1-6-34(7-2)26-20-21-27(23(3)22-26)32(24-16-18-25(19-17-24)33(4)5)35-30-14-10-8-12-28(30)29-13-9-11-15-31(29)35/h8-22,32H,6-7H2,1-5H3
InChIKeyQZMWXTUCJFEFLA-UHFFFAOYSA-N
XLogP7.65
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline?
The IUPAC name of 4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline (CID 18998133) is 4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline.
What is the SMILES notation for 4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline?
The canonical SMILES for 4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline is CCN(CC)c1ccc(C(c2ccc(N(C)C)cc2)n2c3ccccc3c3ccccc32)c(C)c1.
What is the InChIKey of 4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline?
The InChIKey is QZMWXTUCJFEFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3/c1-6-34(7-2)26-20-21-27(23(3)22-26)32(24-16-18-25(19-17-24)33(4)5)35-30-14-10-8-12-28(30)29-13-9-11-15-31(29)35/h8-22,32H,6-7H2,1-5H3.
What are the key properties of 4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline?
4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline has a molecular weight of 461.65 g/mol, XLogP of 7.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[carbazol-9-yl-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline is sourced from PubChem (CID 18998133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).