10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole

C28H17BrS — CID 118616636

IUPAC10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole
SMILESBrc1ccc(-c2ccc(-c3cccc4c3sc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C28H17BrS/c29-22-15-12-19(13-16-22)18-8-10-21(11-9-18)24-6-3-7-25-26-17-14-20-4-1-2-5-23(20)28(26)30-27(24)25/h1-17H
InChIKeyJIYFLLHYLRQNBK-UHFFFAOYSA-N
MW465.42 g/mol
LogP9.30
Rot. Bonds2

About 10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole

10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole (PubChem CID 118616636) has the molecular formula C28H17BrS and a molecular weight of 465.42 g/mol. Its IUPAC name is 10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole.

Molecular Properties

Compound Name10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole
PubChem CID118616636
Molecular FormulaC28H17BrS
Molecular Weight465.42 g/mol
Exact Mass464.02
IUPAC Name10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole
SMILESBrc1ccc(-c2ccc(-c3cccc4c3sc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C28H17BrS/c29-22-15-12-19(13-16-22)18-8-10-21(11-9-18)24-6-3-7-25-26-17-14-20-4-1-2-5-23(20)28(26)30-27(24)25/h1-17H
InChIKeyJIYFLLHYLRQNBK-UHFFFAOYSA-N
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.42
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole 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

10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzothiole
CID 118616658
10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 122425736
10-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzothiole
CID 122426221
2,4-bis(4-phenylphenyl)-6-[4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-1,3,5-triazine
CID 139447186
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline
CID 118616110
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167277417
10-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzothiole
CID 122426637
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
7-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzothiole
CID 164972796
2-(4-bromophenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 142724155
3,5-diphenyl-N-(4-phenylphenyl)-N-[4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]aniline
CID 130466870
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenylaniline
CID 150090867

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole?
The IUPAC name of 10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole (CID 118616636) is 10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole.
What is the SMILES notation for 10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole?
The canonical SMILES for 10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole is Brc1ccc(-c2ccc(-c3cccc4c3sc3c5ccccc5ccc43)cc2)cc1.
What is the InChIKey of 10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole?
The InChIKey is JIYFLLHYLRQNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17BrS/c29-22-15-12-19(13-16-22)18-8-10-21(11-9-18)24-6-3-7-25-26-17-14-20-4-1-2-5-23(20)28(26)30-27(24)25/h1-17H.
What are the key properties of 10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole?
10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole has a molecular weight of 465.42 g/mol, XLogP of 9.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole is sourced from PubChem (CID 118616636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).