8-chloro-1-phenanthren-9-yldibenzothiophene

C26H15ClS — CID 172508813

IUPAC8-chloro-1-phenanthren-9-yldibenzothiophene
SMILESClc1ccc2sc3cccc(-c4cc5ccccc5c5ccccc45)c3c2c1
InChIInChI=1S/C26H15ClS/c27-17-12-13-24-23(15-17)26-21(10-5-11-25(26)28-24)22-14-16-6-1-2-7-18(16)19-8-3-4-9-20(19)22/h1-15H
InChIKeyKCTUDZZOOPKXKU-UHFFFAOYSA-N
MW394.93 g/mol
LogP8.68
Rot. Bonds1

About 8-chloro-1-phenanthren-9-yldibenzothiophene

8-chloro-1-phenanthren-9-yldibenzothiophene (PubChem CID 172508813) has the molecular formula C26H15ClS and a molecular weight of 394.93 g/mol. Its IUPAC name is 8-chloro-1-phenanthren-9-yldibenzothiophene.

Molecular Properties

Compound Name8-chloro-1-phenanthren-9-yldibenzothiophene
PubChem CID172508813
Molecular FormulaC26H15ClS
Molecular Weight394.93 g/mol
Exact Mass394.06
IUPAC Name8-chloro-1-phenanthren-9-yldibenzothiophene
SMILESClc1ccc2sc3cccc(-c4cc5ccccc5c5ccccc45)c3c2c1
InChIInChI=1S/C26H15ClS/c27-17-12-13-24-23(15-17)26-21(10-5-11-25(26)28-24)22-14-16-6-1-2-7-18(16)19-8-3-4-9-20(19)22/h1-15H
InChIKeyKCTUDZZOOPKXKU-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.93
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-chloro-1-naphthalen-1-yldibenzothiophene
CID 166055459
2-dibenzothiophen-1-yl-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 139304980
6-fluoranthen-3-yl-1-phenanthren-9-yldibenzothiophene
CID 129100809
2-[4-(8-phenanthren-9-yldibenzothiophen-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140946720
2-dibenzothiophen-3-yl-4-[2-(8-phenanthren-9-yldibenzothiophen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 140946192
7-chloro-3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene
CID 166846721
2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 155430745
N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 166917856
1-(2-methyl-10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene
CID 59195819
6-bromo-10-chloronaphtho[2,1-b][1]benzothiole
CID 155763696
1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene
CID 59282129
2-(8-chrysen-2-yldibenzothiophen-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 155762434

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-phenanthren-9-yldibenzothiophene?
The IUPAC name of 8-chloro-1-phenanthren-9-yldibenzothiophene (CID 172508813) is 8-chloro-1-phenanthren-9-yldibenzothiophene.
What is the SMILES notation for 8-chloro-1-phenanthren-9-yldibenzothiophene?
The canonical SMILES for 8-chloro-1-phenanthren-9-yldibenzothiophene is Clc1ccc2sc3cccc(-c4cc5ccccc5c5ccccc45)c3c2c1.
What is the InChIKey of 8-chloro-1-phenanthren-9-yldibenzothiophene?
The InChIKey is KCTUDZZOOPKXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15ClS/c27-17-12-13-24-23(15-17)26-21(10-5-11-25(26)28-24)22-14-16-6-1-2-7-18(16)19-8-3-4-9-20(19)22/h1-15H.
What are the key properties of 8-chloro-1-phenanthren-9-yldibenzothiophene?
8-chloro-1-phenanthren-9-yldibenzothiophene has a molecular weight of 394.93 g/mol, XLogP of 8.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-phenanthren-9-yldibenzothiophene is sourced from PubChem (CID 172508813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).