N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine

C54H35NS2 — CID 171435085

IUPACN-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4c(-c5ccccc5)ccc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C54H35NS2/c1-3-12-36(13-4-1)37-22-24-38(25-23-37)39-26-30-42(31-27-39)55(43-32-28-41(29-33-43)44-18-11-21-51-52(44)48-17-8-10-20-50(48)56-51)53-45(40-14-5-2-6-15-40)34-35-47-46-16-7-9-19-49(46)57-54(47)53/h1-35H
InChIKeyNBCAQNLBOWLDII-UHFFFAOYSA-N
MW762.02 g/mol
LogP16.56
Rot. Bonds7

About N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine

N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 171435085) has the molecular formula C54H35NS2 and a molecular weight of 762.02 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID171435085
Molecular FormulaC54H35NS2
Molecular Weight762.02 g/mol
Exact Mass761.22
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4c(-c5ccccc5)ccc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C54H35NS2/c1-3-12-36(13-4-1)37-22-24-38(25-23-37)39-26-30-42(31-27-39)55(43-32-28-41(29-33-43)44-18-11-21-51-52(44)48-17-8-10-20-50(48)56-51)53-45(40-14-5-2-6-15-40)34-35-47-46-16-7-9-19-49(46)57-54(47)53/h1-35H
InChIKeyNBCAQNLBOWLDII-UHFFFAOYSA-N
XLogP16.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.02
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzothiophen-4-amine
CID 171435299
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435440
N-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine
CID 171435323
N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171434642
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
3-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 165085961
N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 171435219
N-[4-(9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 153300486
N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine
CID 171434947
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline;4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 158485457

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 171435085) is N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4c(-c5ccccc5)ccc5c4sc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is NBCAQNLBOWLDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS2/c1-3-12-36(13-4-1)37-22-24-38(25-23-37)39-26-30-42(31-27-39)55(43-32-28-41(29-33-43)44-18-11-21-51-52(44)48-17-8-10-20-50(48)56-51)53-45(40-14-5-2-6-15-40)34-35-47-46-16-7-9-19-49(46)57-54(47)53/h1-35H.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 762.02 g/mol, XLogP of 16.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 171435085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).