5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine

C62H38N2S2 — CID 59182305

IUPAC5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
SMILESc1ccc2c(N(c3ccc4c(c3)Sc3cccc5c3c-4cc3sc4cc(N(c6cccc7ccccc67)c6cccc7ccccc67)ccc4c35)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C62H38N2S2/c1-5-22-45-39(14-1)18-9-27-53(45)63(54-28-10-19-40-15-2-6-23-46(40)54)43-32-34-49-52-38-60-61(51-26-13-31-57(62(51)52)65-58(49)36-43)50-35-33-44(37-59(50)66-60)64(55-29-11-20-41-16-3-7-24-47(41)55)56-30-12-21-42-17-4-8-25-48(42)56/h1-38H
InChIKeyGZSGVLBGQRHEPS-UHFFFAOYSA-N
MW875.13 g/mol
LogP18.89
Rot. Bonds6

About 5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine

5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine (PubChem CID 59182305) has the molecular formula C62H38N2S2 and a molecular weight of 875.13 g/mol. Its IUPAC name is 5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine.

Molecular Properties

Compound Name5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
PubChem CID59182305
Molecular FormulaC62H38N2S2
Molecular Weight875.13 g/mol
Exact Mass874.25
IUPAC Name5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
SMILESc1ccc2c(N(c3ccc4c(c3)Sc3cccc5c3c-4cc3sc4cc(N(c6cccc7ccccc67)c6cccc7ccccc67)ccc4c35)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C62H38N2S2/c1-5-22-45-39(14-1)18-9-27-53(45)63(54-28-10-19-40-15-2-6-23-46(40)54)43-32-34-49-52-38-60-61(51-26-13-31-57(62(51)52)65-58(49)36-43)50-35-33-44(37-59(50)66-60)64(55-29-11-20-41-16-3-7-24-47(41)55)56-30-12-21-42-17-4-8-25-48(42)56/h1-38H
InChIKeyGZSGVLBGQRHEPS-UHFFFAOYSA-N
XLogP18.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.13
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine with MolForge

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Related Compounds

5-N,5-N,18-N,18-N-tetrakis(4-tert-butylphenyl)-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
CID 59181876
N,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine
CID 170272731
5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-N,18-N-diphenyl-18-N-(4-phenylphenyl)-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
CID 70923436
2-N,7-N-di(dibenzothiophen-3-yl)-2-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-2,7-diamine
CID 158092286
N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzothiol-9-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine
CID 164794849
7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146574134
6-N,6-N,18-N,18-N-tetranaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),18,23-decaene-6,18-diamine
CID 70923614
N-dibenzothiophen-3-yl-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164794936
N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine
CID 163844999
2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 159424391
5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260048
8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine
CID 90372254

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?
The IUPAC name of 5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine (CID 59182305) is 5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine.
What is the SMILES notation for 5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?
The canonical SMILES for 5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine is c1ccc2c(N(c3ccc4c(c3)Sc3cccc5c3c-4cc3sc4cc(N(c6cccc7ccccc67)c6cccc7ccccc67)ccc4c35)c3cccc4ccccc34)cccc2c1.
What is the InChIKey of 5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?
The InChIKey is GZSGVLBGQRHEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2S2/c1-5-22-45-39(14-1)18-9-27-53(45)63(54-28-10-19-40-15-2-6-23-46(40)54)43-32-34-49-52-38-60-61(51-26-13-31-57(62(51)52)65-58(49)36-43)50-35-33-44(37-59(50)66-60)64(55-29-11-20-41-16-3-7-24-47(41)55)56-30-12-21-42-17-4-8-25-48(42)56/h1-38H.
What are the key properties of 5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?
5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine has a molecular weight of 875.13 g/mol, XLogP of 18.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,18-N,18-N-tetranaphthalen-1-yl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine is sourced from PubChem (CID 59182305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).