9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine

C28H20N4 — CID 134212706

IUPAC9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine
SMILESc1ccc(-c2cccc(Nc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)nc1
InChIInChI=1S/C28H20N4/c1-2-12-26-23(10-1)24-15-14-22(19-27(24)32(26)28-13-4-6-17-30-28)31-21-9-7-8-20(18-21)25-11-3-5-16-29-25/h1-19,31H
InChIKeyJERNIDNGEJBDHN-UHFFFAOYSA-N
MW412.50 g/mol
LogP6.98
Rot. Bonds4

About 9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine

9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine (PubChem CID 134212706) has the molecular formula C28H20N4 and a molecular weight of 412.50 g/mol. Its IUPAC name is 9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine
PubChem CID134212706
Molecular FormulaC28H20N4
Molecular Weight412.50 g/mol
Exact Mass412.17
IUPAC Name9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine
SMILESc1ccc(-c2cccc(Nc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)nc1
InChIInChI=1S/C28H20N4/c1-2-12-26-23(10-1)24-15-14-22(19-27(24)32(26)28-13-4-6-17-30-28)31-21-9-7-8-20(18-21)25-11-3-5-16-29-25/h1-19,31H
InChIKeyJERNIDNGEJBDHN-UHFFFAOYSA-N
XLogP6.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine?
The IUPAC name of 9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine (CID 134212706) is 9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine.
What is the SMILES notation for 9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine?
The canonical SMILES for 9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine is c1ccc(-c2cccc(Nc3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)nc1.
What is the InChIKey of 9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine?
The InChIKey is JERNIDNGEJBDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4/c1-2-12-26-23(10-1)24-15-14-22(19-27(24)32(26)28-13-4-6-17-30-28)31-21-9-7-8-20(18-21)25-11-3-5-16-29-25/h1-19,31H.
What are the key properties of 9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine?
9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine has a molecular weight of 412.50 g/mol, XLogP of 6.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine is sourced from PubChem (CID 134212706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).