N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline

C60H38N2OS — CID 118428329

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)ccc32)cc1
InChIInChI=1S/C60H38N2OS/c1-2-16-43(17-3-1)62-55-27-7-4-20-49(55)54-38-41(32-35-56(54)62)40-14-10-18-45(36-40)61(44-33-30-39(31-34-44)48-24-13-26-53-51-22-6-9-29-58(51)64-60(48)53)46-19-11-15-42(37-46)47-23-12-25-52-50-21-5-8-28-57(50)63-59(47)52/h1-38H
InChIKeyDJMIXUDWGUNSFD-UHFFFAOYSA-N
MW835.04 g/mol
LogP17.52
Rot. Bonds7

About N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline

N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline (PubChem CID 118428329) has the molecular formula C60H38N2OS and a molecular weight of 835.04 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
PubChem CID118428329
Molecular FormulaC60H38N2OS
Molecular Weight835.04 g/mol
Exact Mass834.27
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)ccc32)cc1
InChIInChI=1S/C60H38N2OS/c1-2-16-43(17-3-1)62-55-27-7-4-20-49(55)54-38-41(32-35-56(54)62)40-14-10-18-45(36-40)61(44-33-30-39(31-34-44)48-24-13-26-53-51-22-6-9-29-58(51)64-60(48)53)46-19-11-15-42(37-46)47-23-12-25-52-50-21-5-8-28-57(50)63-59(47)52/h1-38H
InChIKeyDJMIXUDWGUNSFD-UHFFFAOYSA-N
XLogP17.52
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.04
LogP ≤ 517.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 161408674
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 158012362
N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N-phenylaniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 164969143
4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 162241210
N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenylaniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 159898925
N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-triphenylen-2-ylphenyl)fluoren-2-amine
CID 158948861
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 157185893
2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 176608780
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-4-phenylaniline;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 157147224
3-N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-dibenzothiophen-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 163821962
9-tert-butylcarbazole;9-tert-butyl-2-carbazol-9-ylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;9-tert-butyl-3-dibenzofuran-4-ylcarbazole;9-tert-butyl-3-dibenzothiophen-4-ylcarbazole;9-tert-butyl-N,N-diphenylcarbazol-3-amine
CID 160725361

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline (CID 118428329) is N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline is c1ccc(-n2c3ccccc3c3cc(-c4cccc(N(c5ccc(-c6cccc7c6sc6ccccc67)cc5)c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)ccc32)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is DJMIXUDWGUNSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2OS/c1-2-16-43(17-3-1)62-55-27-7-4-20-49(55)54-38-41(32-35-56(54)62)40-14-10-18-45(36-40)61(44-33-30-39(31-34-44)48-24-13-26-53-51-22-6-9-29-58(51)64-60(48)53)46-19-11-15-42(37-46)47-23-12-25-52-50-21-5-8-28-57(50)63-59(47)52/h1-38H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline?
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline has a molecular weight of 835.04 g/mol, XLogP of 17.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 118428329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).