13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene

C34H24N2S2 — CID 138482145

IUPAC13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene
SMILESCC1c2ccccc2-c2ncsc2-c2cc(-c3ccc4c(c3)-c3scnc3-c3ccccc3C4C)ccc21
InChIInChI=1S/C34H24N2S2/c1-19-23-7-3-5-9-27(23)31-33(37-17-35-31)29-15-21(11-13-25(19)29)22-12-14-26-20(2)24-8-4-6-10-28(24)32-34(30(26)16-22)38-18-36-32/h3-20H,1-2H3
InChIKeyBPWZLNODVWOMKY-UHFFFAOYSA-N
MW524.71 g/mol
LogP9.86
Rot. Bonds1

About 13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene

13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene (PubChem CID 138482145) has the molecular formula C34H24N2S2 and a molecular weight of 524.71 g/mol. Its IUPAC name is 13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene.

Molecular Properties

Compound Name13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene
PubChem CID138482145
Molecular FormulaC34H24N2S2
Molecular Weight524.71 g/mol
Exact Mass524.14
IUPAC Name13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene
SMILESCC1c2ccccc2-c2ncsc2-c2cc(-c3ccc4c(c3)-c3scnc3-c3ccccc3C4C)ccc21
InChIInChI=1S/C34H24N2S2/c1-19-23-7-3-5-9-27(23)31-33(37-17-35-31)29-15-21(11-13-25(19)29)22-12-14-26-20(2)24-8-4-6-10-28(24)32-34(30(26)16-22)38-18-36-32/h3-20H,1-2H3
InChIKeyBPWZLNODVWOMKY-UHFFFAOYSA-N
XLogP9.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene?
The IUPAC name of 13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene (CID 138482145) is 13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene.
What is the SMILES notation for 13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene?
The canonical SMILES for 13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene is CC1c2ccccc2-c2ncsc2-c2cc(-c3ccc4c(c3)-c3scnc3-c3ccccc3C4C)ccc21.
What is the InChIKey of 13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene?
The InChIKey is BPWZLNODVWOMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2S2/c1-19-23-7-3-5-9-27(23)31-33(37-17-35-31)29-15-21(11-13-25(19)29)22-12-14-26-20(2)24-8-4-6-10-28(24)32-34(30(26)16-22)38-18-36-32/h3-20H,1-2H3.
What are the key properties of 13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene?
13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene has a molecular weight of 524.71 g/mol, XLogP of 9.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-17-(13-methyl-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaen-17-yl)-3-thia-5-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),4,7,9,11,15,17-octaene is sourced from PubChem (CID 138482145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).