N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine

C64H42N2OS — CID 167086567

IUPACN-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2ccccc2N(c2cccc3c2oc2ccccc23)c2cccc3c2sc2ccccc23)c2ccc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C64H42N2OS/c1-3-21-43(22-4-1)45-41-42-58(48-27-8-7-26-47(45)48)65(55-34-14-9-25-46(55)44-23-5-2-6-24-44)56-35-15-10-28-49(56)50-29-11-16-36-57(50)66(59-37-19-32-53-51-30-12-17-39-61(51)67-63(53)59)60-38-20-33-54-52-31-13-18-40-62(52)68-64(54)60/h1-42H
InChIKeyHQIJDSOFPXWBNG-UHFFFAOYSA-N
MW887.12 g/mol
LogP19.05
Rot. Bonds9

About N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine

N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine (PubChem CID 167086567) has the molecular formula C64H42N2OS and a molecular weight of 887.12 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
PubChem CID167086567
Molecular FormulaC64H42N2OS
Molecular Weight887.12 g/mol
Exact Mass886.30
IUPAC NameN-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2ccccc2N(c2cccc3c2oc2ccccc23)c2cccc3c2sc2ccccc23)c2ccc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C64H42N2OS/c1-3-21-43(22-4-1)45-41-42-58(48-27-8-7-26-47(45)48)65(55-34-14-9-25-46(55)44-23-5-2-6-24-44)56-35-15-10-28-49(56)50-29-11-16-36-57(50)66(59-37-19-32-53-51-30-12-17-39-61(51)67-63(53)59)60-38-20-33-54-52-31-13-18-40-62(52)68-64(54)60/h1-42H
InChIKeyHQIJDSOFPXWBNG-UHFFFAOYSA-N
XLogP19.05
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.12
LogP ≤ 519.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 90263491
N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502800
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 171435226
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168788865
N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine
CID 167086793
N-dibenzothiophen-4-yl-N-phenanthren-9-yl-1-phenyldibenzofuran-4-amine
CID 171434504
N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164985244
6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-6,11-diamine
CID 130387492
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
N-[4-[4-(N-dibenzofuran-4-yl-2-dibenzothiophen-4-ylanilino)-3-methylphenyl]-2-methylphenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 121323267
N-(4-dibenzofuran-1-ylphenyl)-N-dibenzothiophen-4-yl-6-phenyldibenzofuran-4-amine
CID 167397291

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine (CID 167086567) is N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine is c1ccc(-c2ccccc2N(c2ccccc2-c2ccccc2N(c2cccc3c2oc2ccccc23)c2cccc3c2sc2ccccc23)c2ccc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine?
The InChIKey is HQIJDSOFPXWBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2OS/c1-3-21-43(22-4-1)45-41-42-58(48-27-8-7-26-47(45)48)65(55-34-14-9-25-46(55)44-23-5-2-6-24-44)56-35-15-10-28-49(56)50-29-11-16-36-57(50)66(59-37-19-32-53-51-30-12-17-39-61(51)67-63(53)59)60-38-20-33-54-52-31-13-18-40-62(52)68-64(54)60/h1-42H.
What are the key properties of N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine?
N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine has a molecular weight of 887.12 g/mol, XLogP of 19.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 167086567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).