3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine

C35H25N3O — CID 163674314

IUPAC3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine
SMILESCC#C/C=C(\C)N(c1ccccc1)c1ccc2oc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C35H25N3O/c1-3-4-12-24(2)37(25-13-6-5-7-14-25)26-19-20-34-30(21-26)31-22-27(23-36-35(31)39-34)38-32-17-10-8-15-28(32)29-16-9-11-18-33(29)38/h5-23H,1-2H3/b24-12+
InChIKeyJFHNNSUBKGGNPE-WYMPLXKRSA-N
MW503.61 g/mol
LogP9.14
Rot. Bonds4

About 3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine

3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine (PubChem CID 163674314) has the molecular formula C35H25N3O and a molecular weight of 503.61 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine
PubChem CID163674314
Molecular FormulaC35H25N3O
Molecular Weight503.61 g/mol
Exact Mass503.20
IUPAC Name3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine
SMILESCC#C/C=C(\C)N(c1ccccc1)c1ccc2oc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C35H25N3O/c1-3-4-12-24(2)37(25-13-6-5-7-14-25)26-19-20-34-30(21-26)31-22-27(23-36-35(31)39-34)38-32-17-10-8-15-28(32)29-16-9-11-18-33(29)38/h5-23H,1-2H3/b24-12+
InChIKeyJFHNNSUBKGGNPE-WYMPLXKRSA-N
XLogP9.14
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine?
The IUPAC name of 3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine (CID 163674314) is 3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine.
What is the SMILES notation for 3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine?
The canonical SMILES for 3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine is CC#C/C=C(\C)N(c1ccccc1)c1ccc2oc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine?
The InChIKey is JFHNNSUBKGGNPE-WYMPLXKRSA-N. The full InChI is InChI=1S/C35H25N3O/c1-3-4-12-24(2)37(25-13-6-5-7-14-25)26-19-20-34-30(21-26)31-22-27(23-36-35(31)39-34)38-32-17-10-8-15-28(32)29-16-9-11-18-33(29)38/h5-23H,1-2H3/b24-12+.
What are the key properties of 3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine?
3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine has a molecular weight of 503.61 g/mol, XLogP of 9.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N-[(E)-hex-2-en-4-yn-2-yl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-6-amine is sourced from PubChem (CID 163674314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).