N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine

C54H33NO2S — CID 168804753

IUPACN-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccc(-c6ccccc6)c6oc7ccccc7c56)cc4)cc23)cc1
InChIInChI=1S/C54H33NO2S/c1-3-12-35(13-4-1)40-18-11-19-43-45-32-37(24-30-49(45)56-53(40)43)34-22-25-38(26-23-34)55(39-27-31-51-46(33-39)42-16-8-10-21-50(42)58-51)47-29-28-41(36-14-5-2-6-15-36)54-52(47)44-17-7-9-20-48(44)57-54/h1-33H
InChIKeyQDQHEJRMICAGGO-UHFFFAOYSA-N
MW759.93 g/mol
LogP16.32
Rot. Bonds6

About N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine

N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine (PubChem CID 168804753) has the molecular formula C54H33NO2S and a molecular weight of 759.93 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
PubChem CID168804753
Molecular FormulaC54H33NO2S
Molecular Weight759.93 g/mol
Exact Mass759.22
IUPAC NameN-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccc(-c6ccccc6)c6oc7ccccc7c56)cc4)cc23)cc1
InChIInChI=1S/C54H33NO2S/c1-3-12-35(13-4-1)40-18-11-19-43-45-32-37(24-30-49(45)56-53(40)43)34-22-25-38(26-23-34)55(39-27-31-51-46(33-39)42-16-8-10-21-50(42)58-51)47-29-28-41(36-14-5-2-6-15-36)54-52(47)44-17-7-9-20-48(44)57-54/h1-33H
InChIKeyQDQHEJRMICAGGO-UHFFFAOYSA-N
XLogP16.32
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.93
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168804879
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045
N,N-bis(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;8-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160881655
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428237
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820649
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168804904
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805429
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-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171434776
4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine
CID 170043743
N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-2-amine
CID 168805460
N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428236

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine (CID 168804753) is N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccc(-c6ccccc6)c6oc7ccccc7c56)cc4)cc23)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is QDQHEJRMICAGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2S/c1-3-12-35(13-4-1)40-18-11-19-43-45-32-37(24-30-49(45)56-53(40)43)34-22-25-38(26-23-34)55(39-27-31-51-46(33-39)42-16-8-10-21-50(42)58-51)47-29-28-41(36-14-5-2-6-15-36)54-52(47)44-17-7-9-20-48(44)57-54/h1-33H.
What are the key properties of N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine?
N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 759.93 g/mol, XLogP of 16.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 168804753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).