6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene

C42H26S2 — CID 70923546

IUPAC6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene
SMILESC1=CC2Sc3cc(-c4cccc5ccccc45)ccc3C2c2ccc3sc4cc(-c5cccc6ccccc56)ccc4c3c21
InChIInChI=1S/C42H26S2/c1-3-11-29-25(7-1)9-5-13-31(29)27-15-17-35-39(23-27)43-37-21-19-34-33(41(35)37)20-22-38-42(34)36-18-16-28(24-40(36)44-38)32-14-6-10-26-8-2-4-12-30(26)32/h1-24,37,41H
InChIKeyRRYCCUGVOSXBSI-UHFFFAOYSA-N
MW594.80 g/mol
LogP12.33
Rot. Bonds2

About 6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene

6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene (PubChem CID 70923546) has the molecular formula C42H26S2 and a molecular weight of 594.80 g/mol. Its IUPAC name is 6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene.

Molecular Properties

Compound Name6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene
PubChem CID70923546
Molecular FormulaC42H26S2
Molecular Weight594.80 g/mol
Exact Mass594.15
IUPAC Name6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene
SMILESC1=CC2Sc3cc(-c4cccc5ccccc45)ccc3C2c2ccc3sc4cc(-c5cccc6ccccc56)ccc4c3c21
InChIInChI=1S/C42H26S2/c1-3-11-29-25(7-1)9-5-13-31(29)27-15-17-35-39(23-27)43-37-21-19-34-33(41(35)37)20-22-38-42(34)36-18-16-28(24-40(36)44-38)32-14-6-10-26-8-2-4-12-30(26)32/h1-24,37,41H
InChIKeyRRYCCUGVOSXBSI-UHFFFAOYSA-N
XLogP12.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.80
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene with MolForge

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Related Compounds

6-(10-naphthalen-1-ylanthracen-9-yl)-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122427237
19-(10-naphthalen-1-ylanthracen-9-yl)-22-thiahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene
CID 153472147
6-naphthalen-1-yl-21-(4-naphthalen-1-ylphenyl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene;6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene;6-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene;6-naphthalen-2-yl-21-(4-naphthalen-2-ylphenyl)-3,24-dithiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 161357245
6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene
CID 70923610
2-[7-(5a,9a-dihydrodibenzothiophen-3-yl)dibenzofuran-1-yl]-4-dibenzothiophen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 167007493
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122427490
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 163594964
9-pyren-2-ylnaphtho[2,1-b][1]benzothiole
CID 139341390
14,14-dimethyl-6-(6-naphthalen-1-ylpyren-1-yl)-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 169035220
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190996
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 122427284
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767284

Frequently Asked Questions

What is the IUPAC name of 6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene?
The IUPAC name of 6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene (CID 70923546) is 6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene.
What is the SMILES notation for 6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene?
The canonical SMILES for 6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene is C1=CC2Sc3cc(-c4cccc5ccccc45)ccc3C2c2ccc3sc4cc(-c5cccc6ccccc56)ccc4c3c21.
What is the InChIKey of 6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene?
The InChIKey is RRYCCUGVOSXBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26S2/c1-3-11-29-25(7-1)9-5-13-31(29)27-15-17-35-39(23-27)43-37-21-19-34-33(41(35)37)20-22-38-42(34)36-18-16-28(24-40(36)44-38)32-14-6-10-26-8-2-4-12-30(26)32/h1-24,37,41H.
What are the key properties of 6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene?
6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene has a molecular weight of 594.80 g/mol, XLogP of 12.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene is sourced from PubChem (CID 70923546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).