8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene

C32H19NS — CID 145313366

IUPAC8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
SMILESc1ccc2c(c1)-c1c3c(cccc3cc3sc4ccccc4c13)N2c1ccc2ccccc2c1
InChIInChI=1S/C32H19NS/c1-2-9-21-18-23(17-16-20(21)8-1)33-26-13-5-3-11-24(26)32-30-22(10-7-14-27(30)33)19-29-31(32)25-12-4-6-15-28(25)34-29/h1-19H
InChIKeyLZWZCAYQPVJCEY-UHFFFAOYSA-N
MW449.58 g/mol
LogP9.81
Rot. Bonds1

About 8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene

8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene (PubChem CID 145313366) has the molecular formula C32H19NS and a molecular weight of 449.58 g/mol. Its IUPAC name is 8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene.

Molecular Properties

Compound Name8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
PubChem CID145313366
Molecular FormulaC32H19NS
Molecular Weight449.58 g/mol
Exact Mass449.12
IUPAC Name8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
SMILESc1ccc2c(c1)-c1c3c(cccc3cc3sc4ccccc4c13)N2c1ccc2ccccc2c1
InChIInChI=1S/C32H19NS/c1-2-9-21-18-23(17-16-20(21)8-1)33-26-13-5-3-11-24(26)32-30-22(10-7-14-27(30)33)19-29-31(32)25-12-4-6-15-28(25)34-29/h1-19H
InChIKeyLZWZCAYQPVJCEY-UHFFFAOYSA-N
XLogP9.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.58
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene with MolForge

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Related Compounds

N-[4-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129134063
14-dibenzothiophen-1-yl-17-naphthalen-2-yl-17-aza-1-boraheptacyclo[14.11.1.02,11.04,9.012,28.018,27.020,25]octacosa-2,4,6,8,10,12(28),13,15,18,20,22,24,26-tridecaene
CID 174008293
5-[9,10-di(dibenzothiophen-1-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 59219918
12-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3,8-diphenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170183699
6-thia-30-azaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2(14),3,5(13),7,9,11,15,17,19,21,23,25(29),26-tetradecaene
CID 158123660
8-phenyl-21-thia-6,8-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
CID 145353987
10-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b][1,4]benzazaborinine
CID 58511404
2-[6-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)naphthalen-2-yl]-4-dibenzofuran-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 155789284
4-(4-bromophenyl)-8-naphthalen-2-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 118532980
14-naphthalen-2-yl-10-(4-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 121400683
2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243987
9-dibenzothiophen-1-yl-14-(2-naphthalen-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167157227

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?
The IUPAC name of 8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene (CID 145313366) is 8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene.
What is the SMILES notation for 8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?
The canonical SMILES for 8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene is c1ccc2c(c1)-c1c3c(cccc3cc3sc4ccccc4c13)N2c1ccc2ccccc2c1.
What is the InChIKey of 8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?
The InChIKey is LZWZCAYQPVJCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NS/c1-2-9-21-18-23(17-16-20(21)8-1)33-26-13-5-3-11-24(26)32-30-22(10-7-14-27(30)33)19-29-31(32)25-12-4-6-15-28(25)34-29/h1-19H.
What are the key properties of 8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene?
8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene has a molecular weight of 449.58 g/mol, XLogP of 9.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-2-yl-16-thia-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene is sourced from PubChem (CID 145313366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).