9H-carbazole;2H-isoindole

C20H16N2 — CID 159442064

IUPAC9H-carbazole;2H-isoindole
SMILESc1ccc2c(c1)[nH]c1ccccc12.c1ccc2c[nH]cc2c1
InChIInChI=1S/C12H9N.C8H7N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-8-6-9-5-7(8)3-1/h1-8,13H;1-6,9H
InChIKeyLSHHYTYLJPONMG-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.49
Rot. Bonds

About 9H-carbazole;2H-isoindole

9H-carbazole;2H-isoindole (PubChem CID 159442064) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 9H-carbazole;2H-isoindole.

Molecular Properties

Compound Name9H-carbazole;2H-isoindole
PubChem CID159442064
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name9H-carbazole;2H-isoindole
SMILESc1ccc2c(c1)[nH]c1ccccc12.c1ccc2c[nH]cc2c1
InChIInChI=1S/C12H9N.C8H7N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-8-6-9-5-7(8)3-1/h1-8,13H;1-6,9H
InChIKeyLSHHYTYLJPONMG-UHFFFAOYSA-N
XLogP5.49
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 145072085
9H-carbazole;ethane
CID 91098062
9H-carbazole;carbonic acid
CID 67577328
bromomethane;9H-carbazole
CID 67594562
bis(9H-carbazole);propane
CID 90987002
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
2H-isoindole;1H-pyrrole
CID 162096174
10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90238864
9H-carbazole;sulfuryl dichloride
CID 158008992

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;2H-isoindole?
The IUPAC name of 9H-carbazole;2H-isoindole (CID 159442064) is 9H-carbazole;2H-isoindole.
What is the SMILES notation for 9H-carbazole;2H-isoindole?
The canonical SMILES for 9H-carbazole;2H-isoindole is c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c[nH]cc2c1.
What is the InChIKey of 9H-carbazole;2H-isoindole?
The InChIKey is LSHHYTYLJPONMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C8H7N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-8-6-9-5-7(8)3-1/h1-8,13H;1-6,9H.
What are the key properties of 9H-carbazole;2H-isoindole?
9H-carbazole;2H-isoindole has a molecular weight of 284.36 g/mol, XLogP of 5.49, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;2H-isoindole is sourced from PubChem (CID 159442064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).