bis(1H-azepine);9H-carbazole

C24H23N3 — CID 174976693

IUPACbis(1H-azepine);9H-carbazole
SMILESC1=CC=CNC=C1.C1=CC=CNC=C1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.2C6H7N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2-4-6-7-5-3-1/h1-8,13H;2*1-7H
InChIKeyHOOSATYADANXBT-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.67
Rot. Bonds

About bis(1H-azepine);9H-carbazole

bis(1H-azepine);9H-carbazole (PubChem CID 174976693) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is bis(1H-azepine);9H-carbazole.

Molecular Properties

Compound Namebis(1H-azepine);9H-carbazole
PubChem CID174976693
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Namebis(1H-azepine);9H-carbazole
SMILESC1=CC=CNC=C1.C1=CC=CNC=C1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.2C6H7N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2-4-6-7-5-3-1/h1-8,13H;2*1-7H
InChIKeyHOOSATYADANXBT-UHFFFAOYSA-N
XLogP5.67
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

9H-carbazole
CID 66668984
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
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
9H-carbazole;carbonic acid
CID 67577328
9H-carbazole;methanedithioic acid
CID 158299126
9H-carbazole;sulfuryl dichloride
CID 158008992
2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene
CID 126567892

Frequently Asked Questions

What is the IUPAC name of bis(1H-azepine);9H-carbazole?
The IUPAC name of bis(1H-azepine);9H-carbazole (CID 174976693) is bis(1H-azepine);9H-carbazole.
What is the SMILES notation for bis(1H-azepine);9H-carbazole?
The canonical SMILES for bis(1H-azepine);9H-carbazole is C1=CC=CNC=C1.C1=CC=CNC=C1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of bis(1H-azepine);9H-carbazole?
The InChIKey is HOOSATYADANXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.2C6H7N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;2*1-2-4-6-7-5-3-1/h1-8,13H;2*1-7H.
What are the key properties of bis(1H-azepine);9H-carbazole?
bis(1H-azepine);9H-carbazole has a molecular weight of 353.47 g/mol, XLogP of 5.67, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-azepine);9H-carbazole is sourced from PubChem (CID 174976693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).