N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine

C56H39NS — CID 170297558

IUPACN,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccccc5)c5cc6c(c7ccccc57)S(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c23)cc1
InChIInChI=1S/C56H39NS/c1-5-19-40(20-6-1)47-32-17-21-42-22-18-33-48(55(42)47)41-35-37-44(38-36-41)57(43-23-7-2-8-24-43)53-39-52-50-30-15-16-34-54(50)58(45-25-9-3-10-26-45,46-27-11-4-12-28-46)56(52)51-31-14-13-29-49(51)53/h1-39H
InChIKeyRGHNDMGJQVZYLY-UHFFFAOYSA-N
MW758.00 g/mol
LogP16.12
Rot. Bonds7

About N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine

N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine (PubChem CID 170297558) has the molecular formula C56H39NS and a molecular weight of 758.00 g/mol. Its IUPAC name is N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine.

Molecular Properties

Compound NameN,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine
PubChem CID170297558
Molecular FormulaC56H39NS
Molecular Weight758.00 g/mol
Exact Mass757.28
IUPAC NameN,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccccc5)c5cc6c(c7ccccc57)S(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c23)cc1
InChIInChI=1S/C56H39NS/c1-5-19-40(20-6-1)47-32-17-21-42-22-18-33-48(55(42)47)41-35-37-44(38-36-41)57(43-23-7-2-8-24-43)53-39-52-50-30-15-16-34-54(50)58(45-25-9-3-10-26-45,46-27-11-4-12-28-46)56(52)51-31-14-13-29-49(51)53/h1-39H
InChIKeyRGHNDMGJQVZYLY-UHFFFAOYSA-N
XLogP16.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.00
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,5-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-9-amine
CID 169285419
N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 169016062
4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589712
N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 140943779
N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
CID 166589643
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 164832132
N-(4-naphthalen-1-ylphenyl)-3-(8-phenylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine;3-(8-phenylnaphthalen-1-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-3-(10-phenylphenanthren-9-yl)aniline
CID 161303851
5-N,8-N-bis(5,5-dioxo-6-phenyldibenzothiophen-3-yl)-5-N,8-N-diphenylbenzo[c]phenanthrene-5,8-diamine
CID 145330692
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
CID 167236233
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
CID 167183072
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116

Frequently Asked Questions

What is the IUPAC name of N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine?
The IUPAC name of N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine (CID 170297558) is N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine.
What is the SMILES notation for N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine?
The canonical SMILES for N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccccc5)c5cc6c(c7ccccc57)S(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)c23)cc1.
What is the InChIKey of N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine?
The InChIKey is RGHNDMGJQVZYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NS/c1-5-19-40(20-6-1)47-32-17-21-42-22-18-33-48(55(42)47)41-35-37-44(38-36-41)57(43-23-7-2-8-24-43)53-39-52-50-30-15-16-34-54(50)58(45-25-9-3-10-26-45,46-27-11-4-12-28-46)56(52)51-31-14-13-29-49(51)53/h1-39H.
What are the key properties of N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine?
N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine has a molecular weight of 758.00 g/mol, XLogP of 16.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,11,11-triphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine is sourced from PubChem (CID 170297558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).