8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine

C54H39NS2 — CID 170283744

IUPAC8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4sc5ccc(-c6ccccc6)cc5c4c3)cc2)cc1
InChIInChI=1S/C54H39NS2/c1-6-16-40(17-7-1)42-26-29-44(30-27-42)55(46-33-37-54-52(39-46)51-38-43(28-36-53(51)56-54)41-18-8-2-9-19-41)45-31-34-50(35-32-45)57(47-20-10-3-11-21-47,48-22-12-4-13-23-48)49-24-14-5-15-25-49/h1-39H
InChIKeyWXZCKFFSUIDVPT-UHFFFAOYSA-N
MW766.05 g/mol
LogP16.20
Rot. Bonds9

About 8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine

8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine (PubChem CID 170283744) has the molecular formula C54H39NS2 and a molecular weight of 766.05 g/mol. Its IUPAC name is 8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound Name8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine
PubChem CID170283744
Molecular FormulaC54H39NS2
Molecular Weight766.05 g/mol
Exact Mass765.25
IUPAC Name8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4sc5ccc(-c6ccccc6)cc5c4c3)cc2)cc1
InChIInChI=1S/C54H39NS2/c1-6-16-40(17-7-1)42-26-29-44(30-27-42)55(46-33-37-54-52(39-46)51-38-43(28-36-53(51)56-54)41-18-8-2-9-19-41)45-31-34-50(35-32-45)57(47-20-10-3-11-21-47,48-22-12-4-13-23-48)49-24-14-5-15-25-49/h1-39H
InChIKeyWXZCKFFSUIDVPT-UHFFFAOYSA-N
XLogP16.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.05
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine with MolForge

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Related Compounds

N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N,4-diphenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]aniline
CID 121296540
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N-[3-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296596
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
N-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of 8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine (CID 170283744) is 8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for 8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for 8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4sc5ccc(-c6ccccc6)cc5c4c3)cc2)cc1.
What is the InChIKey of 8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine?
The InChIKey is WXZCKFFSUIDVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NS2/c1-6-16-40(17-7-1)42-26-29-44(30-27-42)55(46-33-37-54-52(39-46)51-38-43(28-36-53(51)56-54)41-18-8-2-9-19-41)45-31-34-50(35-32-45)57(47-20-10-3-11-21-47,48-22-12-4-13-23-48)49-24-14-5-15-25-49/h1-39H.
What are the key properties of 8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine?
8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine has a molecular weight of 766.05 g/mol, XLogP of 16.20, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 170283744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).