24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

C64H36N2S2 — CID 129038190

IUPAC24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
SMILESc1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5c7ccccc7c7c8ccccc8sc7c5n6-c5ccc6ccccc6c5)cc4c4c5ccccc5c5c6ccccc6sc5c43)ccc2c1
InChIInChI=1S/C64H36N2S2/c1-3-15-39-33-43(29-25-37(39)13-1)65-53-31-27-41(35-51(53)57-45-17-5-7-19-47(45)59-49-21-9-11-23-55(49)67-63(59)61(57)65)42-28-32-54-52(36-42)58-46-18-6-8-20-48(46)60-50-22-10-12-24-56(50)68-64(60)62(58)66(54)44-30-26-38-14-2-4-16-40(38)34-44/h1-36H
InChIKeyXHXHOGIXHWWCRD-UHFFFAOYSA-N
MW897.14 g/mol
LogP18.90
Rot. Bonds3

About 24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (PubChem CID 129038190) has the molecular formula C64H36N2S2 and a molecular weight of 897.14 g/mol. Its IUPAC name is 24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.

Molecular Properties

Compound Name24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
PubChem CID129038190
Molecular FormulaC64H36N2S2
Molecular Weight897.14 g/mol
Exact Mass896.23
IUPAC Name24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
SMILESc1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5c7ccccc7c7c8ccccc8sc7c5n6-c5ccc6ccccc6c5)cc4c4c5ccccc5c5c6ccccc6sc5c43)ccc2c1
InChIInChI=1S/C64H36N2S2/c1-3-15-39-33-43(29-25-37(39)13-1)65-53-31-27-41(35-51(53)57-45-17-5-7-19-47(45)59-49-21-9-11-23-55(49)67-63(59)61(57)65)42-28-32-54-52(36-42)58-46-18-6-8-20-48(46)60-50-22-10-12-24-56(50)68-64(60)62(58)66(54)44-30-26-38-14-2-4-16-40(38)34-44/h1-36H
InChIKeyXHXHOGIXHWWCRD-UHFFFAOYSA-N
XLogP18.90
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.14
LogP ≤ 518.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene with MolForge

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Related Compounds

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CID 10951249

Frequently Asked Questions

What is the IUPAC name of 24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The IUPAC name of 24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (CID 129038190) is 24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.
What is the SMILES notation for 24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The canonical SMILES for 24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is c1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5c7ccccc7c7c8ccccc8sc7c5n6-c5ccc6ccccc6c5)cc4c4c5ccccc5c5c6ccccc6sc5c43)ccc2c1.
What is the InChIKey of 24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The InChIKey is XHXHOGIXHWWCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36N2S2/c1-3-15-39-33-43(29-25-37(39)13-1)65-53-31-27-41(35-51(53)57-45-17-5-7-19-47(45)59-49-21-9-11-23-55(49)67-63(59)61(57)65)42-28-32-54-52(36-42)58-46-18-6-8-20-48(46)60-50-22-10-12-24-56(50)68-64(60)62(58)66(54)44-30-26-38-14-2-4-16-40(38)34-44/h1-36H.
What are the key properties of 24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene has a molecular weight of 897.14 g/mol, XLogP of 18.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-naphthalen-2-yl-20-(24-naphthalen-2-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 129038190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).