5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine

C52H35NS — CID 169280526

IUPAC5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4c(-c5ccccc5)c5ccccc5c5sc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C52H35NS/c1-4-14-36(15-5-1)38-24-26-39(27-25-38)41-30-34-44(35-31-41)53(43-32-28-40(29-33-43)37-16-6-2-7-17-37)51-49(42-18-8-3-9-19-42)45-20-10-11-21-46(45)52-50(51)47-22-12-13-23-48(47)54-52/h1-35H
InChIKeyRZRLFKJLBSTIQJ-UHFFFAOYSA-N
MW705.93 g/mol
LogP15.35
Rot. Bonds7

About 5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine

5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine (PubChem CID 169280526) has the molecular formula C52H35NS and a molecular weight of 705.93 g/mol. Its IUPAC name is 5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine.

Molecular Properties

Compound Name5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine
PubChem CID169280526
Molecular FormulaC52H35NS
Molecular Weight705.93 g/mol
Exact Mass705.25
IUPAC Name5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4c(-c5ccccc5)c5ccccc5c5sc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C52H35NS/c1-4-14-36(15-5-1)38-24-26-39(27-25-38)41-30-34-44(35-31-41)53(43-32-28-40(29-33-43)37-16-6-2-7-17-37)51-49(42-18-8-3-9-19-42)45-20-10-11-21-46(45)52-50(51)47-22-12-13-23-48(47)54-52/h1-35H
InChIKeyRZRLFKJLBSTIQJ-UHFFFAOYSA-N
XLogP15.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.93
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
CID 169280675
N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine
CID 169280735
6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280394
N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280424
N-[4-[4-(10-dibenzothiophen-4-ylphenanthren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 142541696
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzothiol-6-amine
CID 169280514
N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
CID 155305496
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
3-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
CID 169280771
N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435085
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280868

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine?
The IUPAC name of 5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine (CID 169280526) is 5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine.
What is the SMILES notation for 5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine?
The canonical SMILES for 5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4c(-c5ccccc5)c5ccccc5c5sc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of 5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine?
The InChIKey is RZRLFKJLBSTIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS/c1-4-14-36(15-5-1)38-24-26-39(27-25-38)41-30-34-44(35-31-41)53(43-32-28-40(29-33-43)37-16-6-2-7-17-37)51-49(42-18-8-3-9-19-42)45-20-10-11-21-46(45)52-50(51)47-22-12-13-23-48(47)54-52/h1-35H.
What are the key properties of 5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine?
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine has a molecular weight of 705.93 g/mol, XLogP of 15.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine is sourced from PubChem (CID 169280526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).