2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene

C33H24ClNS — CID 145430466

IUPAC2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene
SMILESC=CC.Clc1ccc2sc3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3c2c1
InChIInChI=1S/C30H18ClNS.C3H6/c31-21-12-15-30-26(18-21)25-16-19(11-14-29(25)33-30)20-10-13-24-23-8-4-5-9-27(23)32(28(24)17-20)22-6-2-1-3-7-22;1-3-2/h1-18H;3H,1H2,2H3
InChIKeyLYCAXBOQKRDLPI-UHFFFAOYSA-N
MW502.08 g/mol
LogP10.66
Rot. Bonds2

About 2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene

2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene (PubChem CID 145430466) has the molecular formula C33H24ClNS and a molecular weight of 502.08 g/mol. Its IUPAC name is 2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene.

Molecular Properties

Compound Name2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene
PubChem CID145430466
Molecular FormulaC33H24ClNS
Molecular Weight502.08 g/mol
Exact Mass501.13
IUPAC Name2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene
SMILESC=CC.Clc1ccc2sc3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3c2c1
InChIInChI=1S/C30H18ClNS.C3H6/c31-21-12-15-30-26(18-21)25-16-19(11-14-29(25)33-30)20-10-13-24-23-8-4-5-9-27(23)32(28(24)17-20)22-6-2-1-3-7-22;1-3-2/h1-18H;3H,1H2,2H3
InChIKeyLYCAXBOQKRDLPI-UHFFFAOYSA-N
XLogP10.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.08
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene 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

3-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009509
2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 152827310
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
CID 163575771
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324812
9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole
CID 90372125
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
3-(7-chlorodibenzothiophen-2-yl)dibenzofuran;7-chloro-2-dibenzothiophen-3-yldibenzothiophene;2-(7-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;2-[7-(4-chlorophenyl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 160880322
2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene
CID 144919650
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897

Frequently Asked Questions

What is the IUPAC name of 2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene?
The IUPAC name of 2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene (CID 145430466) is 2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene.
What is the SMILES notation for 2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene?
The canonical SMILES for 2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene is C=CC.Clc1ccc2sc3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3c2c1.
What is the InChIKey of 2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene?
The InChIKey is LYCAXBOQKRDLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18ClNS.C3H6/c31-21-12-15-30-26(18-21)25-16-19(11-14-29(25)33-30)20-10-13-24-23-8-4-5-9-27(23)32(28(24)17-20)22-6-2-1-3-7-22;1-3-2/h1-18H;3H,1H2,2H3.
What are the key properties of 2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene?
2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene has a molecular weight of 502.08 g/mol, XLogP of 10.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene is sourced from PubChem (CID 145430466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).