dibenzothiophene;9-phenylcarbazole

C30H21NS — CID 142415981

IUPACdibenzothiophene;9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C18H13N.C12H8S/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-13H;1-8H
InChIKeyFJAGOJXXUFSXJX-UHFFFAOYSA-N
MW427.57 g/mol
LogP8.84
Rot. Bonds1

About dibenzothiophene;9-phenylcarbazole

dibenzothiophene;9-phenylcarbazole (PubChem CID 142415981) has the molecular formula C30H21NS and a molecular weight of 427.57 g/mol. Its IUPAC name is dibenzothiophene;9-phenylcarbazole.

Molecular Properties

Compound Namedibenzothiophene;9-phenylcarbazole
PubChem CID142415981
Molecular FormulaC30H21NS
Molecular Weight427.57 g/mol
Exact Mass427.14
IUPAC Namedibenzothiophene;9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C18H13N.C12H8S/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-13H;1-8H
InChIKeyFJAGOJXXUFSXJX-UHFFFAOYSA-N
XLogP8.84
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze dibenzothiophene;9-phenylcarbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dibenzothiophene;9-phenylcarbazole?
The IUPAC name of dibenzothiophene;9-phenylcarbazole (CID 142415981) is dibenzothiophene;9-phenylcarbazole.
What is the SMILES notation for dibenzothiophene;9-phenylcarbazole?
The canonical SMILES for dibenzothiophene;9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of dibenzothiophene;9-phenylcarbazole?
The InChIKey is FJAGOJXXUFSXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N.C12H8S/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-13H;1-8H.
What are the key properties of dibenzothiophene;9-phenylcarbazole?
dibenzothiophene;9-phenylcarbazole has a molecular weight of 427.57 g/mol, XLogP of 8.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene;9-phenylcarbazole is sourced from PubChem (CID 142415981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).