N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C61H39NOS2 — CID 138747013

IUPACN-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(C(c3ccc4sc5ccccc5c4c3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5sc6ccccc6c5c4)c4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C61H39NOS2/c1-3-13-39(14-4-1)41-23-25-43(26-24-41)60(44-29-33-58-51(35-44)49-18-8-11-21-56(49)64-58)45-36-53-48-17-7-10-20-55(48)63-61(53)54(37-45)62(46-30-27-42(28-31-46)40-15-5-2-6-16-40)47-32-34-59-52(38-47)50-19-9-12-22-57(50)65-59/h1-38,60H
InChIKeyCXBXHUSPJXLNBY-UHFFFAOYSA-N
MW866.12 g/mol
LogP18.31
Rot. Bonds8

About N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 138747013) has the molecular formula C61H39NOS2 and a molecular weight of 866.12 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID138747013
Molecular FormulaC61H39NOS2
Molecular Weight866.12 g/mol
Exact Mass865.25
IUPAC NameN-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(C(c3ccc4sc5ccccc5c4c3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5sc6ccccc6c5c4)c4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C61H39NOS2/c1-3-13-39(14-4-1)41-23-25-43(26-24-41)60(44-29-33-58-51(35-44)49-18-8-11-21-56(49)64-58)45-36-53-48-17-7-10-20-55(48)63-61(53)54(37-45)62(46-30-27-42(28-31-46)40-15-5-2-6-16-40)47-32-34-59-52(38-47)50-19-9-12-22-57(50)65-59/h1-38,60H
InChIKeyCXBXHUSPJXLNBY-UHFFFAOYSA-N
XLogP18.31
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.12
LogP ≤ 518.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
CID 170032563
2-bromo-N-dibenzothiophen-2-yl-N-phenyldibenzofuran-4-amine
CID 122462886
4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine
CID 170043743
4-N,4-N-diphenyl-2-N-[2-(N-phenylanilino)dibenzothiophen-4-yl]-2-N-(4-phenylphenyl)dibenzofuran-2,4-diamine
CID 146550866
2-N-dibenzothiophen-1-yl-2-N-phenyl-4-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine
CID 170044035
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran
CID 164799824
N-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 163977940
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163957586
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 138747013) is N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(C(c3ccc4sc5ccccc5c4c3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5sc6ccccc6c5c4)c4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is CXBXHUSPJXLNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NOS2/c1-3-13-39(14-4-1)41-23-25-43(26-24-41)60(44-29-33-58-51(35-44)49-18-8-11-21-56(49)64-58)45-36-53-48-17-7-10-20-55(48)63-61(53)54(37-45)62(46-30-27-42(28-31-46)40-15-5-2-6-16-40)47-32-34-59-52(38-47)50-19-9-12-22-57(50)65-59/h1-38,60H.
What are the key properties of N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 866.12 g/mol, XLogP of 18.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 138747013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).