N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline

C60H39NOS — CID 168805437

IUPACN-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C60H39NOS/c1-4-13-42(14-5-1)50-35-33-49(39-55(50)44-17-8-3-9-18-44)61(48-31-25-41(26-32-48)46-27-34-53-52-19-10-11-22-58(52)63-59(53)38-46)47-29-23-40(24-30-47)45-28-36-57-56(37-45)54-21-12-20-51(60(54)62-57)43-15-6-2-7-16-43/h1-39H
InChIKeyYNERABZAOGZQGN-UHFFFAOYSA-N
MW822.05 g/mol
LogP17.76
Rot. Bonds8

About N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline

N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline (PubChem CID 168805437) has the molecular formula C60H39NOS and a molecular weight of 822.05 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
PubChem CID168805437
Molecular FormulaC60H39NOS
Molecular Weight822.05 g/mol
Exact Mass821.28
IUPAC NameN-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C60H39NOS/c1-4-13-42(14-5-1)50-35-33-49(39-55(50)44-17-8-3-9-18-44)61(48-31-25-41(26-32-48)46-27-34-53-52-19-10-11-22-58(52)63-59(53)38-46)47-29-23-40(24-30-47)45-28-36-57-56(37-45)54-21-12-20-51(60(54)62-57)43-15-6-2-7-16-43/h1-39H
InChIKeyYNERABZAOGZQGN-UHFFFAOYSA-N
XLogP17.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.05
LogP ≤ 517.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-3-amine
CID 168804690
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 165074759
N-(4-dibenzothiophen-2-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168804879
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline;7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenylaniline
CID 160895838
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428237
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168804904
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine
CID 157196864
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-3-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 164975390
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline
CID 168804463
N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
CID 168804753
8-(6-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174244859

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
The IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline (CID 168805437) is N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
The InChIKey is YNERABZAOGZQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NOS/c1-4-13-42(14-5-1)50-35-33-49(39-55(50)44-17-8-3-9-18-44)61(48-31-25-41(26-32-48)46-27-34-53-52-19-10-11-22-58(52)63-59(53)38-46)47-29-23-40(24-30-47)45-28-36-57-56(37-45)54-21-12-20-51(60(54)62-57)43-15-6-2-7-16-43/h1-39H.
What are the key properties of N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline has a molecular weight of 822.05 g/mol, XLogP of 17.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline is sourced from PubChem (CID 168805437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).