N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine

C48H29NS3 — CID 139552059

IUPACN,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4sc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c4c3)cc2)cc1
InChIInChI=1S/C48H29NS3/c1-2-8-30(9-3-1)31-14-18-34(19-15-31)49(35-20-24-47-41(28-35)38-11-5-7-13-44(38)51-47)36-21-25-48-42(29-36)40-27-33(17-23-46(40)52-48)32-16-22-45-39(26-32)37-10-4-6-12-43(37)50-45/h1-29H
InChIKeyUDKDPKUUDZQOJF-UHFFFAOYSA-N
MW715.97 g/mol
LogP15.59
Rot. Bonds5

About N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine

N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 139552059) has the molecular formula C48H29NS3 and a molecular weight of 715.97 g/mol. Its IUPAC name is N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID139552059
Molecular FormulaC48H29NS3
Molecular Weight715.97 g/mol
Exact Mass715.15
IUPAC NameN,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4sc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c4c3)cc2)cc1
InChIInChI=1S/C48H29NS3/c1-2-8-30(9-3-1)31-14-18-34(19-15-31)49(35-20-24-47-41(28-35)38-11-5-7-13-44(38)51-47)36-21-25-48-42(29-36)40-27-33(17-23-46(40)52-48)32-16-22-45-39(26-32)37-10-4-6-12-43(37)50-45/h1-29H
InChIKeyUDKDPKUUDZQOJF-UHFFFAOYSA-N
XLogP15.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.97
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
N-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
4-dibenzothiophen-2-yl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 123941148
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-triphenylen-2-ylaniline
CID 118214585

Frequently Asked Questions

What is the IUPAC name of N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine (CID 139552059) is N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3ccc4sc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c4c3)cc2)cc1.
What is the InChIKey of N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is UDKDPKUUDZQOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NS3/c1-2-8-30(9-3-1)31-14-18-34(19-15-31)49(35-20-24-47-41(28-35)38-11-5-7-13-44(38)51-47)36-21-25-48-42(29-36)40-27-33(17-23-46(40)52-48)32-16-22-45-39(26-32)37-10-4-6-12-43(37)50-45/h1-29H.
What are the key properties of N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine?
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 715.97 g/mol, XLogP of 15.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 139552059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).