N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine

C52H33NS2 — CID 167397512

IUPACN-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4cccc5c4sc4c(-c6ccccc6)cccc45)ccc3c2)cc1
InChIInChI=1S/C52H33NS2/c1-3-11-34(12-4-1)37-21-22-39-32-42(29-25-38(39)31-37)53(41-27-23-35(24-28-41)40-26-30-50-47(33-40)44-15-7-8-20-49(44)54-50)48-19-10-18-46-45-17-9-16-43(51(45)55-52(46)48)36-13-5-2-6-14-36/h1-33H
InChIKeyPYWFQJLKOKOBCN-UHFFFAOYSA-N
MW735.98 g/mol
LogP16.05
Rot. Bonds6

About N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine

N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine (PubChem CID 167397512) has the molecular formula C52H33NS2 and a molecular weight of 735.98 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
PubChem CID167397512
Molecular FormulaC52H33NS2
Molecular Weight735.98 g/mol
Exact Mass735.21
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4cccc5c4sc4c(-c6ccccc6)cccc45)ccc3c2)cc1
InChIInChI=1S/C52H33NS2/c1-3-11-34(12-4-1)37-21-22-39-32-42(29-25-38(39)31-37)53(41-27-23-35(24-28-41)40-26-30-50-47(33-40)44-15-7-8-20-49(44)54-50)48-19-10-18-46-45-17-9-16-43(51(45)55-52(46)48)36-13-5-2-6-14-36/h1-33H
InChIKeyPYWFQJLKOKOBCN-UHFFFAOYSA-N
XLogP16.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.98
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396570
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397750
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396719
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167396935
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167396343
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397609
N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086636
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 177080732
N,N-bis(3-dibenzothiophen-4-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;3-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;7-dibenzothiophen-4-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161495248
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501643
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine
CID 169062517

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine (CID 167397512) is N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine is c1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4cccc5c4sc4c(-c6ccccc6)cccc45)ccc3c2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine?
The InChIKey is PYWFQJLKOKOBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS2/c1-3-11-34(12-4-1)37-21-22-39-32-42(29-25-38(39)31-37)53(41-27-23-35(24-28-41)40-26-30-50-47(33-40)44-15-7-8-20-49(44)54-50)48-19-10-18-46-45-17-9-16-43(51(45)55-52(46)48)36-13-5-2-6-14-36/h1-33H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine?
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine has a molecular weight of 735.98 g/mol, XLogP of 16.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine is sourced from PubChem (CID 167397512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).