4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline

C28H26N2 — CID 172632708

IUPAC4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline
SMILESCC(C)(C)c1ccc(Nc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C28H26N2/c1-28(2,3)20-12-14-21(15-13-20)29-22-16-18-23(19-17-22)30-26-10-6-4-8-24(26)25-9-5-7-11-27(25)30/h4-19,29H,1-3H3
InChIKeyAWZCTFFOOFBFTA-UHFFFAOYSA-N
MW390.53 g/mol
LogP7.82
Rot. Bonds3

About 4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline

4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline (PubChem CID 172632708) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline.

Molecular Properties

Compound Name4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline
PubChem CID172632708
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC Name4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline
SMILESCC(C)(C)c1ccc(Nc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C28H26N2/c1-28(2,3)20-12-14-21(15-13-20)29-22-16-18-23(19-17-22)30-26-10-6-4-8-24(26)25-9-5-7-11-27(25)30/h4-19,29H,1-3H3
InChIKeyAWZCTFFOOFBFTA-UHFFFAOYSA-N
XLogP7.82
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline?
The IUPAC name of 4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline (CID 172632708) is 4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline.
What is the SMILES notation for 4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline?
The canonical SMILES for 4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline is CC(C)(C)c1ccc(Nc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline?
The InChIKey is AWZCTFFOOFBFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2/c1-28(2,3)20-12-14-21(15-13-20)29-22-16-18-23(19-17-22)30-26-10-6-4-8-24(26)25-9-5-7-11-27(25)30/h4-19,29H,1-3H3.
What are the key properties of 4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline?
4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline has a molecular weight of 390.53 g/mol, XLogP of 7.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline is sourced from PubChem (CID 172632708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).