1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide

C27H30N2O — CID 175352867

IUPAC1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide
SMILESCC(C)(C)c1cc(-c2cccc3c4ccccc4n(C(N)=O)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C27H30N2O/c1-26(2,3)18-14-17(15-19(16-18)27(4,5)6)20-11-9-12-22-21-10-7-8-13-23(21)29(24(20)22)25(28)30/h7-16H,1-6H3,(H2,28,30)
InChIKeyLGUAGWJFEODEMN-UHFFFAOYSA-N
MW398.55 g/mol
LogP6.98
Rot. Bonds1

About 1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide

1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide (PubChem CID 175352867) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide.

Molecular Properties

Compound Name1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide
PubChem CID175352867
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide
SMILESCC(C)(C)c1cc(-c2cccc3c4ccccc4n(C(N)=O)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C27H30N2O/c1-26(2,3)18-14-17(15-19(16-18)27(4,5)6)20-11-9-12-22-21-10-7-8-13-23(21)29(24(20)22)25(28)30/h7-16H,1-6H3,(H2,28,30)
InChIKeyLGUAGWJFEODEMN-UHFFFAOYSA-N
XLogP6.98
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide?
The IUPAC name of 1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide (CID 175352867) is 1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide.
What is the SMILES notation for 1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide?
The canonical SMILES for 1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide is CC(C)(C)c1cc(-c2cccc3c4ccccc4n(C(N)=O)c23)cc(C(C)(C)C)c1.
What is the InChIKey of 1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide?
The InChIKey is LGUAGWJFEODEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c1-26(2,3)18-14-17(15-19(16-18)27(4,5)6)20-11-9-12-22-21-10-7-8-13-23(21)29(24(20)22)25(28)30/h7-16H,1-6H3,(H2,28,30).
What are the key properties of 1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide?
1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 6.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide is sourced from PubChem (CID 175352867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).