3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline

C33H27N3O2 — CID 176783564

IUPAC3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline
SMILESCC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(N)c4)ccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C33H27N3O2/c1-33(2,3)20-15-16-35-30(17-20)36-27-14-13-25-24-9-4-5-10-29(24)38-32(25)31(27)26-12-11-23(19-28(26)36)37-22-8-6-7-21(34)18-22/h4-19H,34H2,1-3H3
InChIKeyACABOWYOWQUYTO-UHFFFAOYSA-N
MW497.60 g/mol
LogP8.75
Rot. Bonds3

About 3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline

3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline (PubChem CID 176783564) has the molecular formula C33H27N3O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline.

Molecular Properties

Compound Name3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline
PubChem CID176783564
Molecular FormulaC33H27N3O2
Molecular Weight497.60 g/mol
Exact Mass497.21
IUPAC Name3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline
SMILESCC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(N)c4)ccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C33H27N3O2/c1-33(2,3)20-15-16-35-30(17-20)36-27-14-13-25-24-9-4-5-10-29(24)38-32(25)31(27)26-12-11-23(19-28(26)36)37-22-8-6-7-21(34)18-22/h4-19H,34H2,1-3H3
InChIKeyACABOWYOWQUYTO-UHFFFAOYSA-N
XLogP8.75
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 58.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline with MolForge

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Related Compounds

5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole
CID 176782478
3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 176641760
3-[3-[3-[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 176641810
3-[[12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-yl]oxy]aniline
CID 176783899
3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 176641839
5-(4-tert-butyl-2-pyridinyl)-3-[3-tert-butyl-5-[3-[3,4,5-trimethyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole
CID 176642372
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzofuran-3-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176783428
5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole
CID 176641804
3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-1-methyl-2H-[1]benzofuro[3,2-e]benzimidazole
CID 155794780
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-phenyl-2H-[1]benzofuro[3,2-f]benzimidazole
CID 155794776
[1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804287

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline?
The IUPAC name of 3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline (CID 176783564) is 3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline.
What is the SMILES notation for 3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline?
The canonical SMILES for 3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline is CC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(N)c4)ccc3c3c4oc5ccccc5c4ccc32)c1.
What is the InChIKey of 3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline?
The InChIKey is ACABOWYOWQUYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3O2/c1-33(2,3)20-15-16-35-30(17-20)36-27-14-13-25-24-9-4-5-10-29(24)38-32(25)31(27)26-12-11-23(19-28(26)36)37-22-8-6-7-21(34)18-22/h4-19H,34H2,1-3H3.
What are the key properties of 3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline?
3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline has a molecular weight of 497.60 g/mol, XLogP of 8.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline is sourced from PubChem (CID 176783564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).