buta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole

C28H20ClNS — CID 144687609

IUPACbuta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole
SMILESC=CC=C.Clc1ccc2c(c1)sc1c(-n3c4ccccc4c4ccccc43)cccc12
InChIInChI=1S/C24H14ClNS.C4H6/c25-15-12-13-18-19-8-5-11-22(24(19)27-23(18)14-15)26-20-9-3-1-6-16(20)17-7-2-4-10-21(17)26;1-3-4-2/h1-14H;3-4H,1-2H2
InChIKeyHFBZLYYABMNPCL-UHFFFAOYSA-N
MW438.00 g/mol
LogP9.16
Rot. Bonds2

About buta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole

buta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole (PubChem CID 144687609) has the molecular formula C28H20ClNS and a molecular weight of 438.00 g/mol. Its IUPAC name is buta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole.

Molecular Properties

Compound Namebuta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole
PubChem CID144687609
Molecular FormulaC28H20ClNS
Molecular Weight438.00 g/mol
Exact Mass437.10
IUPAC Namebuta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole
SMILESC=CC=C.Clc1ccc2c(c1)sc1c(-n3c4ccccc4c4ccccc43)cccc12
InChIInChI=1S/C24H14ClNS.C4H6/c25-15-12-13-18-19-8-5-11-22(24(19)27-23(18)14-15)26-20-9-3-1-6-16(20)17-7-2-4-10-21(17)26;1-3-4-2/h1-14H;3-4H,1-2H2
InChIKeyHFBZLYYABMNPCL-UHFFFAOYSA-N
XLogP9.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.00
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole
CID 137493978
6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 158142145
9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
CID 90225193
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole
CID 118349523
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole
CID 118505931
9-[7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-4-yl]carbazole
CID 169010577
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)carbazole
CID 162055088
30-dibenzothiophen-4-yl-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361076

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole?
The IUPAC name of buta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole (CID 144687609) is buta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole.
What is the SMILES notation for buta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole?
The canonical SMILES for buta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole is C=CC=C.Clc1ccc2c(c1)sc1c(-n3c4ccccc4c4ccccc43)cccc12.
What is the InChIKey of buta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole?
The InChIKey is HFBZLYYABMNPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClNS.C4H6/c25-15-12-13-18-19-8-5-11-22(24(19)27-23(18)14-15)26-20-9-3-1-6-16(20)17-7-2-4-10-21(17)26;1-3-4-2/h1-14H;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole?
buta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole has a molecular weight of 438.00 g/mol, XLogP of 9.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;9-(7-chlorodibenzothiophen-4-yl)carbazole is sourced from PubChem (CID 144687609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).