2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine

C169H113N5S6 — CID 161312906

IUPAC2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4sc5ccc(-c6cccc7c6sc6ccccc67)cc5c4c3)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c4sc5ccc(-c6cccc7c6sc6ccccc67)cc5c4c3)c2)cc1.c1ccc(C(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3sc4ccc(-c5cccc6c5sc5ccccc56)cc4c3c2)cc1
InChIInChI=1S/2C60H40N2S2.C49H33NS2/c1-5-18-41(19-6-1)43-22-15-28-48(36-43)61(46-24-9-3-10-25-46)50-39-55-54-38-45(51-31-17-32-53-52-30-13-14-33-57(52)63-59(51)53)34-35-58(54)64-60(55)56(40-50)62(47-26-11-4-12-27-47)49-29-16-23-44(37-49)42-20-7-2-8-21-42;1-5-16-41(17-6-1)43-28-33-48(34-29-43)61(46-20-9-3-10-21-46)50-39-55-54-38-45(51-25-15-26-53-52-24-13-14-27-57(52)63-59(51)53)32-37-58(54)64-60(55)56(40-50)62(47-22-11-4-12-23-47)49-35-30-44(31-36-49)42-18-7-2-8-19-42;1-5-16-33(17-6-1)47(34-18-7-2-8-19-34)36-31-43-42-30-35(39-25-15-26-41-40-24-13-14-27-45(40)51-48(39)41)28-29-46(42)52-49(43)44(32-36)50(37-20-9-3-10-21-37)38-22-11-4-12-23-38/h2*1-40H;1-32,47H
InChIKeyVJCWDKBOZOOGEX-UHFFFAOYSA-N
MW2406.20 g/mol
LogP51.47
Rot. Bonds25

About 2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine

2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine (PubChem CID 161312906) has the molecular formula C169H113N5S6 and a molecular weight of 2406.20 g/mol. Its IUPAC name is 2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine.

Molecular Properties

Compound Name2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
PubChem CID161312906
Molecular FormulaC169H113N5S6
Molecular Weight2406.20 g/mol
Exact Mass2403.73
IUPAC Name2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4sc5ccc(-c6cccc7c6sc6ccccc67)cc5c4c3)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c4sc5ccc(-c6cccc7c6sc6ccccc67)cc5c4c3)c2)cc1.c1ccc(C(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3sc4ccc(-c5cccc6c5sc5ccccc56)cc4c3c2)cc1
InChIInChI=1S/2C60H40N2S2.C49H33NS2/c1-5-18-41(19-6-1)43-22-15-28-48(36-43)61(46-24-9-3-10-25-46)50-39-55-54-38-45(51-31-17-32-53-52-30-13-14-33-57(52)63-59(51)53)34-35-58(54)64-60(55)56(40-50)62(47-26-11-4-12-27-47)49-29-16-23-44(37-49)42-20-7-2-8-21-42;1-5-16-41(17-6-1)43-28-33-48(34-29-43)61(46-20-9-3-10-21-46)50-39-55-54-38-45(51-25-15-26-53-52-24-13-14-27-57(52)63-59(51)53)32-37-58(54)64-60(55)56(40-50)62(47-22-11-4-12-23-47)49-35-30-44(31-36-49)42-18-7-2-8-19-42;1-5-16-33(17-6-1)47(34-18-7-2-8-19-34)36-31-43-42-30-35(39-25-15-26-41-40-24-13-14-27-45(40)51-48(39)41)28-29-46(42)52-49(43)44(32-36)50(37-20-9-3-10-21-37)38-22-11-4-12-23-38/h2*1-40H;1-32,47H
InChIKeyVJCWDKBOZOOGEX-UHFFFAOYSA-N
XLogP51.47
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002406.20
LogP ≤ 551.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine with MolForge

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Related Compounds

8-dibenzothiophen-4-yl-2-N,4-N-dinaphthalen-2-yl-2-N,4-N-diphenyldibenzothiophene-2,4-diamine
CID 153311677
4-[4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]phenyl]-N,N-diphenylaniline
CID 90076337
5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605064
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 90351007
2-[3-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167086686
3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605050
2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
CID 121327989
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397750
3-N-[4-(N-[8-[3-(N-[3-(N-[4-(N-dibenzothiophen-4-ylanilino)phenyl]anilino)phenyl]anilino)phenyl]dibenzothiophen-2-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 163460336
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406193
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086636

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine?
The IUPAC name of 2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine (CID 161312906) is 2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine.
What is the SMILES notation for 2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine?
The canonical SMILES for 2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4sc5ccc(-c6cccc7c6sc6ccccc67)cc5c4c3)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c4sc5ccc(-c6cccc7c6sc6ccccc67)cc5c4c3)c2)cc1.c1ccc(C(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)c3sc4ccc(-c5cccc6c5sc5ccccc56)cc4c3c2)cc1.
What is the InChIKey of 2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine?
The InChIKey is VJCWDKBOZOOGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H40N2S2.C49H33NS2/c1-5-18-41(19-6-1)43-22-15-28-48(36-43)61(46-24-9-3-10-25-46)50-39-55-54-38-45(51-31-17-32-53-52-30-13-14-33-57(52)63-59(51)53)34-35-58(54)64-60(55)56(40-50)62(47-26-11-4-12-27-47)49-29-16-23-44(37-49)42-20-7-2-8-21-42;1-5-16-41(17-6-1)43-28-33-48(34-29-43)61(46-20-9-3-10-21-46)50-39-55-54-38-45(51-25-15-26-53-52-24-13-14-27-57(52)63-59(51)53)32-37-58(54)64-60(55)56(40-50)62(47-22-11-4-12-23-47)49-35-30-44(31-36-49)42-18-7-2-8-19-42;1-5-16-33(17-6-1)47(34-18-7-2-8-19-34)36-31-43-42-30-35(39-25-15-26-41-40-24-13-14-27-45(40)51-48(39)41)28-29-46(42)52-49(43)44(32-36)50(37-20-9-3-10-21-37)38-22-11-4-12-23-38/h2*1-40H;1-32,47H.
What are the key properties of 2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine?
2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine has a molecular weight of 2406.20 g/mol, XLogP of 51.47, 25 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-8-dibenzothiophen-4-yl-N,N-diphenyldibenzothiophen-4-amine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(3-phenylphenyl)dibenzothiophene-2,4-diamine;8-dibenzothiophen-4-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine is sourced from PubChem (CID 161312906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).