N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine

C27H25N3 — CID 170933731

IUPACN-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine
SMILESCC(C)(C)c1ccc(Nc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc1
InChIInChI=1S/C27H25N3/c1-27(2,3)19-11-13-20(14-12-19)29-21-15-16-23-22-8-4-5-9-24(22)30(25(23)18-21)26-10-6-7-17-28-26/h4-18,29H,1-3H3
InChIKeyHPUMRYZZPYBLHD-UHFFFAOYSA-N
MW391.52 g/mol
LogP7.22
Rot. Bonds3

About N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine

N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine (PubChem CID 170933731) has the molecular formula C27H25N3 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine
PubChem CID170933731
Molecular FormulaC27H25N3
Molecular Weight391.52 g/mol
Exact Mass391.20
IUPAC NameN-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine
SMILESCC(C)(C)c1ccc(Nc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc1
InChIInChI=1S/C27H25N3/c1-27(2,3)19-11-13-20(14-12-19)29-21-15-16-23-22-8-4-5-9-24(22)30(25(23)18-21)26-10-6-7-17-28-26/h4-18,29H,1-3H3
InChIKeyHPUMRYZZPYBLHD-UHFFFAOYSA-N
XLogP7.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-pyridin-2-yl-N-(9-pyridin-2-ylcarbazol-2-yl)carbazol-2-amine
CID 137412781
9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine
CID 134212706
4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline
CID 172632708
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 162274979
N-[3-(3H-benzimidazol-1-ium-1-yl)phenyl]-9-(4-tert-butyl-2-pyridinyl)carbazol-2-amine chloride
CID 177249061
2,7-dimethyl-9-pyridin-2-ylcarbazole
CID 59557260
2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421793
2-N-[3-[1-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-2,2-dipyridin-2-ylethenyl]phenyl]-1-N-phenylbenzene-1,2-diamine
CID 176871528
9-pyridin-2-ylcarbazol-3-amine
CID 135208084
2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole
CID 154622354

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine (CID 170933731) is N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine is CC(C)(C)c1ccc(Nc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine?
The InChIKey is HPUMRYZZPYBLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3/c1-27(2,3)19-11-13-20(14-12-19)29-21-15-16-23-22-8-4-5-9-24(22)30(25(23)18-21)26-10-6-7-17-28-26/h4-18,29H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine?
N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine has a molecular weight of 391.52 g/mol, XLogP of 7.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine is sourced from PubChem (CID 170933731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).