N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine

C54H37NS — CID 164744330

IUPACN-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc(-c3ccccc3-c3cccc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4cccc5sc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C54H37NS/c1-3-16-38(17-4-1)41-20-13-21-42(36-41)48-26-9-10-27-49(48)43-22-14-23-45(37-43)55(51-29-15-31-53-54(51)50-28-11-12-30-52(50)56-53)44-34-32-40(33-35-44)47-25-8-7-24-46(47)39-18-5-2-6-19-39/h1-37H
InChIKeyVXZNQDXKMQVVLR-UHFFFAOYSA-N
MW731.96 g/mol
LogP15.86
Rot. Bonds8

About N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine

N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine (PubChem CID 164744330) has the molecular formula C54H37NS and a molecular weight of 731.96 g/mol. Its IUPAC name is N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
PubChem CID164744330
Molecular FormulaC54H37NS
Molecular Weight731.96 g/mol
Exact Mass731.26
IUPAC NameN-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc(-c3ccccc3-c3cccc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4cccc5sc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C54H37NS/c1-3-16-38(17-4-1)41-20-13-21-42(36-41)48-26-9-10-27-49(48)43-22-14-23-45(37-43)55(51-29-15-31-53-54(51)50-28-11-12-30-52(50)56-53)44-34-32-40(33-35-44)47-25-8-7-24-46(47)39-18-5-2-6-19-39/h1-37H
InChIKeyVXZNQDXKMQVVLR-UHFFFAOYSA-N
XLogP15.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.96
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744357
2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170665716
N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 167087062
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
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-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167182895
N-[4-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-3-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 134553278
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 172502933

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine (CID 164744330) is N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine is c1ccc(-c2cccc(-c3ccccc3-c3cccc(N(c4ccc(-c5ccccc5-c5ccccc5)cc4)c4cccc5sc6ccccc6c45)c3)c2)cc1.
What is the InChIKey of N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine?
The InChIKey is VXZNQDXKMQVVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NS/c1-3-16-38(17-4-1)41-20-13-21-42(36-41)48-26-9-10-27-49(48)43-22-14-23-45(37-43)55(51-29-15-31-53-54(51)50-28-11-12-30-52(50)56-53)44-34-32-40(33-35-44)47-25-8-7-24-46(47)39-18-5-2-6-19-39/h1-37H.
What are the key properties of N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine?
N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine has a molecular weight of 731.96 g/mol, XLogP of 15.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 164744330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).