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

C68H44N2S2 — CID 167086483

IUPACN-[3-[3-[dibenzothiophen-1-yl-(4-phenylnaphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5ccc(-c6ccccc6)c6ccccc56)c5cccc6sc7ccccc7c56)c4)c3)c3cc4ccccc4c4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C68H44N2S2/c1-3-18-45(19-4-1)46-36-38-51(39-37-46)69(62-44-50-22-7-8-27-55(50)68-67(62)59-31-12-14-34-64(59)72-68)52-25-15-23-48(42-52)49-24-16-26-53(43-49)70(61-32-17-35-65-66(61)58-30-11-13-33-63(58)71-65)60-41-40-54(47-20-5-2-6-21-47)56-28-9-10-29-57(56)60/h1-44H
InChIKeyKAXSZQOYTJNNBB-UHFFFAOYSA-N
MW953.25 g/mol
LogP20.67
Rot. Bonds9

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

N-[3-[3-[dibenzothiophen-1-yl-(4-phenylnaphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine (PubChem CID 167086483) has the molecular formula C68H44N2S2 and a molecular weight of 953.25 g/mol. Its IUPAC name is N-[3-[3-[dibenzothiophen-1-yl-(4-phenylnaphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine.

Molecular Properties

Compound NameN-[3-[3-[dibenzothiophen-1-yl-(4-phenylnaphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
PubChem CID167086483
Molecular FormulaC68H44N2S2
Molecular Weight953.25 g/mol
Exact Mass952.29
IUPAC NameN-[3-[3-[dibenzothiophen-1-yl-(4-phenylnaphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5ccc(-c6ccccc6)c6ccccc56)c5cccc6sc7ccccc7c56)c4)c3)c3cc4ccccc4c4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C68H44N2S2/c1-3-18-45(19-4-1)46-36-38-51(39-37-46)69(62-44-50-22-7-8-27-55(50)68-67(62)59-31-12-14-34-64(59)72-68)52-25-15-23-48(42-52)49-24-16-26-53(43-49)70(61-32-17-35-65-66(61)58-30-11-13-33-63(58)71-65)60-41-40-54(47-20-5-2-6-21-47)56-28-9-10-29-57(56)60/h1-44H
InChIKeyKAXSZQOYTJNNBB-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

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Related Compounds

N-[3-(4-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-6-amine
CID 169007286
N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 164744330
N-[2-[2-(N-dibenzothiophen-1-yl-3-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167086900
N-(4-phenylnaphthalen-1-yl)-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158866237
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 154605549
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 170038407
N-[3-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 164960640
N-[3-[3-(4-naphtho[1,2-b][1]benzothiol-6-yl-N-phenanthren-9-ylanilino)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-7-phenylphenanthren-2-amine
CID 167086766
N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 157077380
N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-1-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-1-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 159100981

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[dibenzothiophen-1-yl-(4-phenylnaphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine?
The IUPAC name of N-[3-[3-[dibenzothiophen-1-yl-(4-phenylnaphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine (CID 167086483) is N-[3-[3-[dibenzothiophen-1-yl-(4-phenylnaphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine.
What is the SMILES notation for N-[3-[3-[dibenzothiophen-1-yl-(4-phenylnaphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine?
The canonical SMILES for N-[3-[3-[dibenzothiophen-1-yl-(4-phenylnaphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5ccc(-c6ccccc6)c6ccccc56)c5cccc6sc7ccccc7c56)c4)c3)c3cc4ccccc4c4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[3-[3-[dibenzothiophen-1-yl-(4-phenylnaphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine?
The InChIKey is KAXSZQOYTJNNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2S2/c1-3-18-45(19-4-1)46-36-38-51(39-37-46)69(62-44-50-22-7-8-27-55(50)68-67(62)59-31-12-14-34-64(59)72-68)52-25-15-23-48(42-52)49-24-16-26-53(43-49)70(61-32-17-35-65-66(61)58-30-11-13-33-63(58)71-65)60-41-40-54(47-20-5-2-6-21-47)56-28-9-10-29-57(56)60/h1-44H.
What are the key properties of N-[3-[3-[dibenzothiophen-1-yl-(4-phenylnaphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine?
N-[3-[3-[dibenzothiophen-1-yl-(4-phenylnaphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-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-(4-phenylnaphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine is sourced from PubChem (CID 167086483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).