9-prop-2-ynyl-5H-benzo[b]carbazole

C19H13N — CID 139968186

IUPAC9-prop-2-ynyl-5H-benzo[b]carbazole
SMILESC#CCc1ccc2cc3[nH]c4ccccc4c3cc2c1
InChIInChI=1S/C19H13N/c1-2-5-13-8-9-14-12-19-17(11-15(14)10-13)16-6-3-4-7-18(16)20-19/h1,3-4,6-12,20H,5H2
InChIKeyQDLOQFZEHRAPBY-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.65
Rot. Bonds1

About 9-prop-2-ynyl-5H-benzo[b]carbazole

9-prop-2-ynyl-5H-benzo[b]carbazole (PubChem CID 139968186) has the molecular formula C19H13N and a molecular weight of 255.32 g/mol. Its IUPAC name is 9-prop-2-ynyl-5H-benzo[b]carbazole.

Molecular Properties

Compound Name9-prop-2-ynyl-5H-benzo[b]carbazole
PubChem CID139968186
Molecular FormulaC19H13N
Molecular Weight255.32 g/mol
Exact Mass255.10
IUPAC Name9-prop-2-ynyl-5H-benzo[b]carbazole
SMILESC#CCc1ccc2cc3[nH]c4ccccc4c3cc2c1
InChIInChI=1S/C19H13N/c1-2-5-13-8-9-14-12-19-17(11-15(14)10-13)16-6-3-4-7-18(16)20-19/h1,3-4,6-12,20H,5H2
InChIKeyQDLOQFZEHRAPBY-UHFFFAOYSA-N
XLogP4.65
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-prop-2-ynyl-5H-benzo[b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methyl-5H-benzo[b]carbazole
CID 154982200
11,20-diazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(28),2,4(12),5,7,9,13,15,17,19(27),21,23,25-tridecaene
CID 102495063
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
3-[2-(9H-carbazol-3-yl)ethyl]-9H-carbazole
CID 123609825
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
11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole
CID 159182554
9H-carbazol-3-ylmethanamine
CID 42281639
17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),18,20,22-dodecaene
CID 164721462
9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-benzo[b]carbazole
CID 151324899
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
9H-carbazole
CID 66668984
ethane;6H-pyrido[4,3-b]carbazole
CID 142896724

Frequently Asked Questions

What is the IUPAC name of 9-prop-2-ynyl-5H-benzo[b]carbazole?
The IUPAC name of 9-prop-2-ynyl-5H-benzo[b]carbazole (CID 139968186) is 9-prop-2-ynyl-5H-benzo[b]carbazole.
What is the SMILES notation for 9-prop-2-ynyl-5H-benzo[b]carbazole?
The canonical SMILES for 9-prop-2-ynyl-5H-benzo[b]carbazole is C#CCc1ccc2cc3[nH]c4ccccc4c3cc2c1.
What is the InChIKey of 9-prop-2-ynyl-5H-benzo[b]carbazole?
The InChIKey is QDLOQFZEHRAPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N/c1-2-5-13-8-9-14-12-19-17(11-15(14)10-13)16-6-3-4-7-18(16)20-19/h1,3-4,6-12,20H,5H2.
What are the key properties of 9-prop-2-ynyl-5H-benzo[b]carbazole?
9-prop-2-ynyl-5H-benzo[b]carbazole has a molecular weight of 255.32 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-ynyl-5H-benzo[b]carbazole is sourced from PubChem (CID 139968186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).