N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine

C68H44N2S2 — CID 167086502

IUPACN-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5ccc6cc(-c7ccccc7)ccc6c5)c5cccc6sc7ccccc7c56)c4)c3)c3cccc4sc5cc6ccccc6cc5c34)cc2)cc1
InChIInChI=1S/C68H44N2S2/c1-3-15-45(16-4-1)47-33-36-55(37-34-47)69(62-27-14-30-65-68(62)60-43-50-19-7-8-20-51(50)44-66(60)72-65)56-23-11-21-48(40-56)49-22-12-24-57(41-49)70(61-26-13-29-64-67(61)59-25-9-10-28-63(59)71-64)58-38-35-53-39-52(31-32-54(53)42-58)46-17-5-2-6-18-46/h1-44H
InChIKeyZSTOMTDCNMGEDY-UHFFFAOYSA-N
MW953.25 g/mol
LogP20.67
Rot. Bonds9

About N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine

N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine (PubChem CID 167086502) has the molecular formula C68H44N2S2 and a molecular weight of 953.25 g/mol. Its IUPAC name is N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine.

Molecular Properties

Compound NameN-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
PubChem CID167086502
Molecular FormulaC68H44N2S2
Molecular Weight953.25 g/mol
Exact Mass952.29
IUPAC NameN-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5ccc6cc(-c7ccccc7)ccc6c5)c5cccc6sc7ccccc7c56)c4)c3)c3cccc4sc5cc6ccccc6cc5c34)cc2)cc1
InChIInChI=1S/C68H44N2S2/c1-3-15-45(16-4-1)47-33-36-55(37-34-47)69(62-27-14-30-65-68(62)60-43-50-19-7-8-20-51(50)44-66(60)72-65)56-23-11-21-48(40-56)49-22-12-24-57(41-49)70(61-26-13-29-64-67(61)59-25-9-10-28-63(59)71-64)58-38-35-53-39-52(31-32-54(53)42-58)46-17-5-2-6-18-46/h1-44H
InChIKeyZSTOMTDCNMGEDY-UHFFFAOYSA-N
XLogP20.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.25
LogP ≤ 520.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine with MolForge

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Related Compounds

N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
CID 174255832
N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324324
N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
CID 169007475
6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine
CID 167086761
N-(7-phenanthren-9-ylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
CID 169007066
N-chrysen-2-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170137727
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280
N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 166055346
N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170039707
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325681

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine?
The IUPAC name of N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine (CID 167086502) is N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine.
What is the SMILES notation for N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine?
The canonical SMILES for N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5ccc6cc(-c7ccccc7)ccc6c5)c5cccc6sc7ccccc7c56)c4)c3)c3cccc4sc5cc6ccccc6cc5c34)cc2)cc1.
What is the InChIKey of N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine?
The InChIKey is ZSTOMTDCNMGEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2S2/c1-3-15-45(16-4-1)47-33-36-55(37-34-47)69(62-27-14-30-65-68(62)60-43-50-19-7-8-20-51(50)44-66(60)72-65)56-23-11-21-48(40-56)49-22-12-24-57(41-49)70(61-26-13-29-64-67(61)59-25-9-10-28-63(59)71-64)58-38-35-53-39-52(31-32-54(53)42-58)46-17-5-2-6-18-46/h1-44H.
What are the key properties of N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine?
N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine has a molecular weight of 953.25 g/mol, XLogP of 20.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine is sourced from PubChem (CID 167086502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).