1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole

C27H18N4 — CID 164788747

IUPAC1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3[nH]c3c(-c5ccccn5)cccc34)n2)nc1
InChIInChI=1S/C27H18N4/c1-3-16-28-22(12-1)20-10-5-8-18-19-9-6-11-21(27(19)31-26(18)20)23-14-7-15-25(30-23)24-13-2-4-17-29-24/h1-17,31H
InChIKeyKBSFHZWGUZDQNU-UHFFFAOYSA-N
MW398.47 g/mol
LogP6.51
Rot. Bonds3

About 1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole

1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole (PubChem CID 164788747) has the molecular formula C27H18N4 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole.

Molecular Properties

Compound Name1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole
PubChem CID164788747
Molecular FormulaC27H18N4
Molecular Weight398.47 g/mol
Exact Mass398.15
IUPAC Name1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3[nH]c3c(-c5ccccn5)cccc34)n2)nc1
InChIInChI=1S/C27H18N4/c1-3-16-28-22(12-1)20-10-5-8-18-19-9-6-11-21(27(19)31-26(18)20)23-14-7-15-25(30-23)24-13-2-4-17-29-24/h1-17,31H
InChIKeyKBSFHZWGUZDQNU-UHFFFAOYSA-N
XLogP6.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole?
The IUPAC name of 1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole (CID 164788747) is 1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole.
What is the SMILES notation for 1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole?
The canonical SMILES for 1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole is c1ccc(-c2cccc(-c3cccc4c3[nH]c3c(-c5ccccn5)cccc34)n2)nc1.
What is the InChIKey of 1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole?
The InChIKey is KBSFHZWGUZDQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4/c1-3-16-28-22(12-1)20-10-5-8-18-19-9-6-11-21(27(19)31-26(18)20)23-14-7-15-25(30-23)24-13-2-4-17-29-24/h1-17,31H.
What are the key properties of 1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole?
1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole has a molecular weight of 398.47 g/mol, XLogP of 6.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-8-(6-pyridin-2-yl-2-pyridinyl)-9H-carbazole is sourced from PubChem (CID 164788747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).