2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine

C48H36N2S — CID 155028303

IUPAC2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine
SMILESC1=c2sc3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c2=CC(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C48H36N2S/c1-5-13-35(14-6-1)37-21-25-41(26-22-37)49(39-17-9-3-10-18-39)43-29-31-47-45(33-43)46-34-44(30-32-48(46)51-47)50(40-19-11-4-12-20-40)42-27-23-38(24-28-42)36-15-7-2-8-16-36/h1-29,31-34,44H,30H2
InChIKeyGFMFEROEKOISKF-UHFFFAOYSA-N
MW672.90 g/mol
LogP11.88
Rot. Bonds8

About 2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine

2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine (PubChem CID 155028303) has the molecular formula C48H36N2S and a molecular weight of 672.90 g/mol. Its IUPAC name is 2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine
PubChem CID155028303
Molecular FormulaC48H36N2S
Molecular Weight672.90 g/mol
Exact Mass672.26
IUPAC Name2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine
SMILESC1=c2sc3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c2=CC(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C48H36N2S/c1-5-13-35(14-6-1)37-21-25-41(26-22-37)49(39-17-9-3-10-18-39)43-29-31-47-45(33-43)46-34-44(30-32-48(46)51-47)50(40-19-11-4-12-20-40)42-27-23-38(24-28-42)36-15-7-2-8-16-36/h1-29,31-34,44H,30H2
InChIKeyGFMFEROEKOISKF-UHFFFAOYSA-N
XLogP11.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.90
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine with MolForge

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Related Compounds

N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 167086540
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
N,4-diphenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]aniline
CID 121296540
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
8-phenyl-N-(4-phenylphenyl)-N-[4-(triphenyl-λ4-sulfanyl)phenyl]dibenzothiophen-2-amine
CID 170283744
N-[3-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296596
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-2-amine
CID 170037216
3-N,3-N,8-N,8-N-tetraphenyl-[1]benzothiolo[3,2-b][1]benzothiole-3,8-diamine
CID 130303970
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine?
The IUPAC name of 2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine (CID 155028303) is 2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine.
What is the SMILES notation for 2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine?
The canonical SMILES for 2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine is C1=c2sc3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c2=CC(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine?
The InChIKey is GFMFEROEKOISKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2S/c1-5-13-35(14-6-1)37-21-25-41(26-22-37)49(39-17-9-3-10-18-39)43-29-31-47-45(33-43)46-34-44(30-32-48(46)51-47)50(40-19-11-4-12-20-40)42-27-23-38(24-28-42)36-15-7-2-8-16-36/h1-29,31-34,44H,30H2.
What are the key properties of 2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine?
2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine has a molecular weight of 672.90 g/mol, XLogP of 11.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine is sourced from PubChem (CID 155028303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).