2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine

C58H38N2S2 — CID 158058609

IUPAC2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine
SMILESc1ccc(-c2cc3c(-c4ccccc4)cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc3cc2N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C58H38N2S2/c1-5-17-39(18-6-1)51-35-46(59(42-21-9-3-10-22-42)44-29-31-49-47-25-13-15-27-55(47)61-57(49)36-44)33-41-34-54(53(38-52(41)51)40-19-7-2-8-20-40)60(43-23-11-4-12-24-43)45-30-32-50-48-26-14-16-28-56(48)62-58(50)37-45/h1-38H
InChIKeySECRWYUBTZJCEN-UHFFFAOYSA-N
MW827.09 g/mol
LogP17.85
Rot. Bonds8

About 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine

2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine (PubChem CID 158058609) has the molecular formula C58H38N2S2 and a molecular weight of 827.09 g/mol. Its IUPAC name is 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine
PubChem CID158058609
Molecular FormulaC58H38N2S2
Molecular Weight827.09 g/mol
Exact Mass826.25
IUPAC Name2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine
SMILESc1ccc(-c2cc3c(-c4ccccc4)cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc3cc2N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C58H38N2S2/c1-5-17-39(18-6-1)51-35-46(59(42-21-9-3-10-22-42)44-29-31-49-47-25-13-15-27-55(47)61-57(49)36-44)33-41-34-54(53(38-52(41)51)40-19-7-2-8-20-40)60(43-23-11-4-12-24-43)45-30-32-50-48-26-14-16-28-56(48)62-58(50)37-45/h1-38H
InChIKeySECRWYUBTZJCEN-UHFFFAOYSA-N
XLogP17.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.09
LogP ≤ 517.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098532
2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine
CID 158092286
1-N-dibenzothiophen-3-yl-4-N-phenyl-4-N-(4-phenylnaphthalen-1-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177116967
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
7-N-dibenzothiophen-3-yl-7-N-[3-(N-naphthalen-2-ylanilino)phenyl]-2-N-phenyl-2-N-(2-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979897
N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177128358
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
2-N-dibenzothiophen-3-yl-2-N,7-N,7-N-triphenylphenanthrene-2,7-diamine
CID 170410437
5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 146588762
6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N,11,23-tetraphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,18-diamine
CID 162475516
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
N-phenyl-N-[4-[2-(N-phenylanilino)phenyl]phenanthren-2-yl]dibenzothiophen-3-amine
CID 162490119

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine?
The IUPAC name of 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine (CID 158058609) is 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine?
The canonical SMILES for 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine is c1ccc(-c2cc3c(-c4ccccc4)cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc3cc2N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine?
The InChIKey is SECRWYUBTZJCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S2/c1-5-17-39(18-6-1)51-35-46(59(42-21-9-3-10-22-42)44-29-31-49-47-25-13-15-27-55(47)61-57(49)36-44)33-41-34-54(53(38-52(41)51)40-19-7-2-8-20-40)60(43-23-11-4-12-24-43)45-30-32-50-48-26-14-16-28-56(48)62-58(50)37-45/h1-38H.
What are the key properties of 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine?
2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine has a molecular weight of 827.09 g/mol, XLogP of 17.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine is sourced from PubChem (CID 158058609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).