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

C70H42N2S4 — CID 162475516

IUPAC6-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
SMILESc1ccc(-c2cc3c(cc(-c4ccccc4)c4sc5cc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)ccc5c43)c3c2sc2cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)ccc23)cc1
InChIInChI=1S/C70H42N2S4/c1-5-17-43(18-6-1)57-41-59-60(67-55-35-31-49(39-65(55)75-69(57)67)71(45-21-9-3-10-22-45)47-29-33-53-51-25-13-15-27-61(51)73-63(53)37-47)42-58(44-19-7-2-8-20-44)70-68(59)56-36-32-50(40-66(56)76-70)72(46-23-11-4-12-24-46)48-30-34-54-52-26-14-16-28-62(52)74-64(54)38-48/h1-42H
InChIKeyZPFXWTUGJNOZIK-UHFFFAOYSA-N
MW1039.39 g/mol
LogP22.58
Rot. Bonds8

About 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

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 (PubChem CID 162475516) has the molecular formula C70H42N2S4 and a molecular weight of 1039.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID162475516
Molecular FormulaC70H42N2S4
Molecular Weight1039.39 g/mol
Exact Mass1038.22
IUPAC Name6-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
SMILESc1ccc(-c2cc3c(cc(-c4ccccc4)c4sc5cc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)ccc5c43)c3c2sc2cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)ccc23)cc1
InChIInChI=1S/C70H42N2S4/c1-5-17-43(18-6-1)57-41-59-60(67-55-35-31-49(39-65(55)75-69(57)67)71(45-21-9-3-10-22-45)47-29-33-53-51-25-13-15-27-61(51)73-63(53)37-47)42-58(44-19-7-2-8-20-44)70-68(59)56-36-32-50(40-66(56)76-70)72(46-23-11-4-12-24-46)48-30-34-54-52-26-14-16-28-62(52)74-64(54)38-48/h1-42H
InChIKeyZPFXWTUGJNOZIK-UHFFFAOYSA-N
XLogP22.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.39
LogP ≤ 522.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
7-N,19-N-di(dibenzothiophen-3-yl)-7-N,19-N,12,24-tetraphenyl-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),5,7,11,14,16(21),17,19,23-undecaene-7,19-diamine
CID 162475613
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
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine
CID 155135337
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 159997970
2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N,3,5-tetraphenylnaphthalene-2,7-diamine
CID 158058609
4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 135277463
5-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-3-amine
CID 169280531
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline
CID 140919502

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc3c(cc(-c4ccccc4)c4sc5cc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)ccc5c43)c3c2sc2cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)ccc23)cc1.
What is the InChIKey of 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?
The InChIKey is ZPFXWTUGJNOZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N2S4/c1-5-17-43(18-6-1)57-41-59-60(67-55-35-31-49(39-65(55)75-69(57)67)71(45-21-9-3-10-22-45)47-29-33-53-51-25-13-15-27-61(51)73-63(53)37-47)42-58(44-19-7-2-8-20-44)70-68(59)56-36-32-50(40-66(56)76-70)72(46-23-11-4-12-24-46)48-30-34-54-52-26-14-16-28-62(52)74-64(54)38-48/h1-42H.
What are the key properties of 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?
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 has a molecular weight of 1039.39 g/mol, XLogP of 22.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162475516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).