11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene

C32H20N2S2 — CID 122448804

IUPAC11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene
SMILESCn1ccc2cc3cc4c(cc3cc21)sc1cc2c(cc14)sc1cc3cc4c(ccn4C)cc3cc12
InChIInChI=1S/C32H20N2S2/c1-33-5-3-17-7-19-9-23-25-15-32-26(16-31(25)35-29(23)13-21(19)11-27(17)33)24-10-20-8-18-4-6-34(2)28(18)12-22(20)14-30(24)36-32/h3-16H,1-2H3
InChIKeyCPYJZHNVULTUAY-UHFFFAOYSA-N
MW496.66 g/mol
LogP9.71
Rot. Bonds

About 11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene

11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene (PubChem CID 122448804) has the molecular formula C32H20N2S2 and a molecular weight of 496.66 g/mol. Its IUPAC name is 11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene.

Molecular Properties

Compound Name11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene
PubChem CID122448804
Molecular FormulaC32H20N2S2
Molecular Weight496.66 g/mol
Exact Mass496.11
IUPAC Name11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene
SMILESCn1ccc2cc3cc4c(cc3cc21)sc1cc2c(cc14)sc1cc3cc4c(ccn4C)cc3cc12
InChIInChI=1S/C32H20N2S2/c1-33-5-3-17-7-19-9-23-25-15-32-26(16-31(25)35-29(23)13-21(19)11-27(17)33)24-10-20-8-18-4-6-34(2)28(18)12-22(20)14-30(24)36-32/h3-16H,1-2H3
InChIKeyCPYJZHNVULTUAY-UHFFFAOYSA-N
XLogP9.71
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.66
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene with MolForge

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Related Compounds

11,30-dimethyl-19,38-dithia-11,30-diazadecacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene
CID 122448816
1,7-dimethylpyrrolo[3,2-f]indole
CID 170295030
7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaene
CID 58411045
7,22-dimethyl-15,30-diselena-7,22-diazaoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,8,10,12,17(29),18,20,23,25,27-tridecaene;9,24-dimethyl-15,30-diselena-9,24-diazaoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene;11,30-dimethyl-19,38-dithia-11,30-diazadecacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;7,22-dimethyl-15,30-dithia-7,22-diazaoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,8,10,12,17(29),18,20,23,25,27-tridecaene;9,24-dimethyl-15,30-dithia-9,24-diazaoctacyclo[14.14.0.02,14.04,12.06,10.017,29.019,27.021,25]triaconta-1(16),2(14),3,5,7,10,12,17(29),18,20,22,25,27-tridecaene;19-thia-9,28,38-triselenadecacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,10,12,14,16,21(37),22,24,26,29,31,33,35-heptadecaene;19-thia-11,30,38-triselenadecacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene;9,19,28-trithia-38-selenadecacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,10,12,14,16,21(37),22,24,26,29,31,33,35-heptadecaene;11,19,30-trithia-38-selenadecacyclo[18.18.0.02,18.04,16.06,14.08,12.021,37.023,35.025,33.027,31]octatriaconta-1(20),2(18),3,5,7,9,12,14,16,21(37),22,24,26,28,31,33,35-heptadecaene
CID 158392808
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CID 22287706
7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 156529970
6-fluoro-5,17-dimethyl-5,17-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58411049
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CID 11322835
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Frequently Asked Questions

What is the IUPAC name of 11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene?
The IUPAC name of 11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene (CID 122448804) is 11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene.
What is the SMILES notation for 11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene?
The canonical SMILES for 11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene is Cn1ccc2cc3cc4c(cc3cc21)sc1cc2c(cc14)sc1cc3cc4c(ccn4C)cc3cc12.
What is the InChIKey of 11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene?
The InChIKey is CPYJZHNVULTUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2S2/c1-33-5-3-17-7-19-9-23-25-15-32-26(16-31(25)35-29(23)13-21(19)11-27(17)33)24-10-20-8-18-4-6-34(2)28(18)12-22(20)14-30(24)36-32/h3-16H,1-2H3.
What are the key properties of 11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene?
11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene has a molecular weight of 496.66 g/mol, XLogP of 9.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,28-dimethyl-17,34-dithia-11,28-diazanonacyclo[18.14.0.03,18.04,16.06,14.08,12.021,33.023,31.025,29]tetratriaconta-1(20),2,4(16),5,7,9,12,14,18,21(33),22,24,26,29,31-pentadecaene is sourced from PubChem (CID 122448804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).