6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine

C72H48N2S — CID 167086761

IUPAC6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4cccc(-c5cccc(N(c6ccc7cc(-c8cccc9sc%10ccccc%10c89)ccc7c6)c6cccc7ccccc67)c5)c4)c4cccc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C72H48N2S/c1-2-16-49(17-3-1)50-36-38-51(39-37-50)54-22-10-25-60(45-54)73(68-32-13-20-52-18-4-6-28-64(52)68)61-26-11-23-55(46-61)56-24-12-27-62(47-56)74(69-33-14-21-53-19-5-7-29-65(53)69)63-43-42-57-44-59(41-40-58(57)48-63)66-31-15-35-71-72(66)67-30-8-9-34-70(67)75-71/h1-48H
InChIKeyQHARGNSCXKGTGR-UHFFFAOYSA-N
MW973.26 g/mol
LogP21.12
Rot. Bonds10

About 6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine

6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine (PubChem CID 167086761) has the molecular formula C72H48N2S and a molecular weight of 973.26 g/mol. Its IUPAC name is 6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine
PubChem CID167086761
Molecular FormulaC72H48N2S
Molecular Weight973.26 g/mol
Exact Mass972.35
IUPAC Name6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4cccc(-c5cccc(N(c6ccc7cc(-c8cccc9sc%10ccccc%10c89)ccc7c6)c6cccc7ccccc67)c5)c4)c4cccc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C72H48N2S/c1-2-16-49(17-3-1)50-36-38-51(39-37-50)54-22-10-25-60(45-54)73(68-32-13-20-52-18-4-6-28-64(52)68)61-26-11-23-55(46-61)56-24-12-27-62(47-56)74(69-33-14-21-53-19-5-7-29-65(53)69)63-43-42-57-44-59(41-40-58(57)48-63)66-31-15-35-71-72(66)67-30-8-9-34-70(67)75-71/h1-48H
InChIKeyQHARGNSCXKGTGR-UHFFFAOYSA-N
XLogP21.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.26
LogP ≤ 521.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(4-phenylphenyl)dibenzothiophen-2-amine
CID 166055525
N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767282
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
2-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326060
9-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-2-amine;9-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 167680897
N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
CID 167086502
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163651994
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 167324838
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)phenanthren-9-amine
CID 167324405

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine?
The IUPAC name of 6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine (CID 167086761) is 6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for 6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for 6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine is c1ccc(-c2ccc(-c3cccc(N(c4cccc(-c5cccc(N(c6ccc7cc(-c8cccc9sc%10ccccc%10c89)ccc7c6)c6cccc7ccccc67)c5)c4)c4cccc5ccccc45)c3)cc2)cc1.
What is the InChIKey of 6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine?
The InChIKey is QHARGNSCXKGTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2S/c1-2-16-49(17-3-1)50-36-38-51(39-37-50)54-22-10-25-60(45-54)73(68-32-13-20-52-18-4-6-28-64(52)68)61-26-11-23-55(46-61)56-24-12-27-62(47-56)74(69-33-14-21-53-19-5-7-29-65(53)69)63-43-42-57-44-59(41-40-58(57)48-63)66-31-15-35-71-72(66)67-30-8-9-34-70(67)75-71/h1-48H.
What are the key properties of 6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine?
6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine has a molecular weight of 973.26 g/mol, XLogP of 21.12, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 167086761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).