8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine

C28H18BrNS — CID 153498004

IUPAC8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine
SMILESBrc1cc(N(c2ccccc2)c2ccccc2)cc2c1sc1ccc3ccccc3c12
InChIInChI=1S/C28H18BrNS/c29-25-18-22(30(20-10-3-1-4-11-20)21-12-5-2-6-13-21)17-24-27-23-14-8-7-9-19(23)15-16-26(27)31-28(24)25/h1-18H
InChIKeyFUBORNVNMOMTHI-UHFFFAOYSA-N
MW480.43 g/mol
LogP9.44
Rot. Bonds3

About 8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine

8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine (PubChem CID 153498004) has the molecular formula C28H18BrNS and a molecular weight of 480.43 g/mol. Its IUPAC name is 8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine.

Molecular Properties

Compound Name8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine
PubChem CID153498004
Molecular FormulaC28H18BrNS
Molecular Weight480.43 g/mol
Exact Mass479.03
IUPAC Name8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine
SMILESBrc1cc(N(c2ccccc2)c2ccccc2)cc2c1sc1ccc3ccccc3c12
InChIInChI=1S/C28H18BrNS/c29-25-18-22(30(20-10-3-1-4-11-20)21-12-5-2-6-13-21)17-24-27-23-14-8-7-9-19(23)15-16-26(27)31-28(24)25/h1-18H
InChIKeyFUBORNVNMOMTHI-UHFFFAOYSA-N
XLogP9.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.43
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine 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

N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 90263592
4-bromo-N-(4-fluorophenyl)-N-phenyldibenzothiophen-2-amine
CID 153498058
7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146573607
N-naphtho[2,1-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine
CID 118616579
N-[4-(3-naphtho[2,1-b][1]benzothiol-8-ylphenyl)phenyl]-N,4-diphenylaniline
CID 121261326
3-naphtho[2,1-b][1]benzothiol-8-yl-N,N-bis(4-phenylphenyl)aniline
CID 121323447
N-chrysen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170140492
N-benzo[g]phenanthren-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 167182764
N-phenyl-N-(4-propan-2-ylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 90263586
N-(4-isocyanophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 123973582
4-bromo-N-(3-methylphenyl)-N-phenyldibenzothiophen-2-amine
CID 153498002
N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine
CID 170039484

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine?
The IUPAC name of 8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine (CID 153498004) is 8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine.
What is the SMILES notation for 8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine?
The canonical SMILES for 8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine is Brc1cc(N(c2ccccc2)c2ccccc2)cc2c1sc1ccc3ccccc3c12.
What is the InChIKey of 8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine?
The InChIKey is FUBORNVNMOMTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18BrNS/c29-25-18-22(30(20-10-3-1-4-11-20)21-12-5-2-6-13-21)17-24-27-23-14-8-7-9-19(23)15-16-26(27)31-28(24)25/h1-18H.
What are the key properties of 8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine?
8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine has a molecular weight of 480.43 g/mol, XLogP of 9.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N,N-diphenylnaphtho[2,1-b][1]benzothiol-10-amine is sourced from PubChem (CID 153498004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).