N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine

C42H27NS — CID 118616095

IUPACN-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine
SMILESc1ccc(-c2ccc3cc(Nc4ccc5cc(-c6cc7ccccc7c7c6sc6ccccc67)ccc5c4)ccc3c2)cc1
InChIInChI=1S/C42H27NS/c1-2-8-27(9-3-1)28-14-15-31-24-35(20-18-29(31)22-28)43-36-21-19-30-23-34(17-16-32(30)25-36)39-26-33-10-4-5-11-37(33)41-38-12-6-7-13-40(38)44-42(39)41/h1-26,43H
InChIKeyLTUKNUYQMXOZDP-UHFFFAOYSA-N
MW577.75 g/mol
LogP12.59
Rot. Bonds4

About N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine

N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine (PubChem CID 118616095) has the molecular formula C42H27NS and a molecular weight of 577.75 g/mol. Its IUPAC name is N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine
PubChem CID118616095
Molecular FormulaC42H27NS
Molecular Weight577.75 g/mol
Exact Mass577.19
IUPAC NameN-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine
SMILESc1ccc(-c2ccc3cc(Nc4ccc5cc(-c6cc7ccccc7c7c6sc6ccccc67)ccc5c4)ccc3c2)cc1
InChIInChI=1S/C42H27NS/c1-2-8-27(9-3-1)28-14-15-31-24-35(20-18-29(31)22-28)43-36-21-19-30-23-34(17-16-32(30)25-36)39-26-33-10-4-5-11-37(33)41-38-12-6-7-13-40(38)44-42(39)41/h1-26,43H
InChIKeyLTUKNUYQMXOZDP-UHFFFAOYSA-N
XLogP12.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.75
LogP ≤ 512.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine with MolForge

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Related Compounds

2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-6-yl-6-phenyl-1,3,5-triazine
CID 166042750
6-(3-triphenylen-2-ylphenyl)naphtho[2,1-b][1]benzothiole
CID 152839669
N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 169073524
2-(methylamino)-4-(6-phenylnaphthalen-2-yl)dibenzothiophen-1-ol
CID 167454446
6-(4-bromophenyl)naphtho[2,1-b][1]benzothiole
CID 118616599
7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 163919347
1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 142405945
N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 168799176
6-phenanthren-9-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 169007580
N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 118616145
N-(3,5-diphenylphenyl)dibenzothiophen-1-amine;N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(6-phenylnaphthalen-2-yl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 158916839
6,8-bis[3-(3,5-diphenylphenyl)phenyl]naphtho[2,1-b][1]benzothiole
CID 139312538

Frequently Asked Questions

What is the IUPAC name of N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine?
The IUPAC name of N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine (CID 118616095) is N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine.
What is the SMILES notation for N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine?
The canonical SMILES for N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine is c1ccc(-c2ccc3cc(Nc4ccc5cc(-c6cc7ccccc7c7c6sc6ccccc67)ccc5c4)ccc3c2)cc1.
What is the InChIKey of N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine?
The InChIKey is LTUKNUYQMXOZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS/c1-2-8-27(9-3-1)28-14-15-31-24-35(20-18-29(31)22-28)43-36-21-19-30-23-34(17-16-32(30)25-36)39-26-33-10-4-5-11-37(33)41-38-12-6-7-13-40(38)44-42(39)41/h1-26,43H.
What are the key properties of N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine?
N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine has a molecular weight of 577.75 g/mol, XLogP of 12.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine is sourced from PubChem (CID 118616095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).