7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine

C50H32N2S2 — CID 134553264

IUPAC7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C50H32N2S2/c1-2-14-37(15-3-1)51(41-22-25-44-43-16-8-9-17-47(43)53-49(44)31-41)42-23-26-45-46-30-40(24-27-48(46)54-50(45)32-42)52(38-20-18-33-10-4-6-12-35(33)28-38)39-21-19-34-11-5-7-13-36(34)29-39/h1-32H
InChIKeyJMGSUGHKEVBFMH-UHFFFAOYSA-N
MW724.95 g/mol
LogP15.67
Rot. Bonds6

About 7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine

7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine (PubChem CID 134553264) has the molecular formula C50H32N2S2 and a molecular weight of 724.95 g/mol. Its IUPAC name is 7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
PubChem CID134553264
Molecular FormulaC50H32N2S2
Molecular Weight724.95 g/mol
Exact Mass724.20
IUPAC Name7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc23)cc1
InChIInChI=1S/C50H32N2S2/c1-2-14-37(15-3-1)51(41-22-25-44-43-16-8-9-17-47(43)53-49(44)31-41)42-23-26-45-46-30-40(24-27-48(46)54-50(45)32-42)52(38-20-18-33-10-4-6-12-35(33)28-38)39-21-19-34-11-5-7-13-36(34)29-39/h1-32H
InChIKeyJMGSUGHKEVBFMH-UHFFFAOYSA-N
XLogP15.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.95
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 161361054
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
2-N-dibenzothiophen-3-yl-2-N,7-N,7-N-triphenylphenanthrene-2,7-diamine
CID 170410437
7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146573607
N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine
CID 170039484
2-N,2-N,7-N-triphenyl-7-N-triphenylen-2-yldibenzothiophene-2,7-diamine
CID 146576040
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
2-N,9-N-di(dibenzothiophen-3-yl)-2-N,9-N-diphenylchrysene-2,9-diamine
CID 170410342
N-dibenzothiophen-3-yl-N-phenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-amine
CID 162475544
N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 118405870
N,N-dinaphthalen-2-ylnaphtho[2,3-b][1]benzothiol-2-amine
CID 170272709
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767046

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine?
The IUPAC name of 7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine (CID 134553264) is 7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine.
What is the SMILES notation for 7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine?
The canonical SMILES for 7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine is c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)sc2ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc23)cc1.
What is the InChIKey of 7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine?
The InChIKey is JMGSUGHKEVBFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2S2/c1-2-14-37(15-3-1)51(41-22-25-44-43-16-8-9-17-47(43)53-49(44)31-41)42-23-26-45-46-30-40(24-27-48(46)54-50(45)32-42)52(38-20-18-33-10-4-6-12-35(33)28-38)39-21-19-34-11-5-7-13-36(34)29-39/h1-32H.
What are the key properties of 7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine?
7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine has a molecular weight of 724.95 g/mol, XLogP of 15.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine is sourced from PubChem (CID 134553264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).