phenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene

C18H17N3 — CID 139602071

IUPACphenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene
SMILESc1ccc(/N=N/C2CCCc3c2[nH]c2ccccc32)cc1
InChIInChI=1S/C18H17N3/c1-2-7-13(8-3-1)20-21-17-12-6-10-15-14-9-4-5-11-16(14)19-18(15)17/h1-5,7-9,11,17,19H,6,10,12H2/b21-20+
InChIKeyWROPPFIPZSHETF-QZQOTICOSA-N
MW275.36 g/mol
LogP5.33
Rot. Bonds2

About phenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene

phenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene (PubChem CID 139602071) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is phenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene.

Molecular Properties

Compound Namephenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene
PubChem CID139602071
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Namephenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene
SMILESc1ccc(/N=N/C2CCCc3c2[nH]c2ccccc32)cc1
InChIInChI=1S/C18H17N3/c1-2-7-13(8-3-1)20-21-17-12-6-10-15-14-9-4-5-11-16(14)19-18(15)17/h1-5,7-9,11,17,19H,6,10,12H2/b21-20+
InChIKeyWROPPFIPZSHETF-QZQOTICOSA-N
XLogP5.33
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.36
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze phenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene 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

1-phenyl-2,3,4,9-tetrahydro-1H-carbazole
CID 20568385
2,3,4,9-tetrahydro-1H-carbazole-1-thiol
CID 138599371
1-cyclobutyl-2,3,4,9-tetrahydro-1H-carbazole
CID 91153684
[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 26342575
1-(1-methylcyclobutyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 173177273
N-benzyl-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 159520401
1-(1-methylcyclodecyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 91059771
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592
(1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol
CID 12868332
N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333996
N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65334003

Frequently Asked Questions

What is the IUPAC name of phenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene?
The IUPAC name of phenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene (CID 139602071) is phenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene.
What is the SMILES notation for phenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene?
The canonical SMILES for phenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene is c1ccc(/N=N/C2CCCc3c2[nH]c2ccccc32)cc1.
What is the InChIKey of phenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene?
The InChIKey is WROPPFIPZSHETF-QZQOTICOSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-7-13(8-3-1)20-21-17-12-6-10-15-14-9-4-5-11-16(14)19-18(15)17/h1-5,7-9,11,17,19H,6,10,12H2/b21-20+.
What are the key properties of phenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene?
phenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene has a molecular weight of 275.36 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)diazene is sourced from PubChem (CID 139602071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).