3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine

C25H19NS — CID 162485936

IUPAC3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine
SMILESCc1cccnc1-c1ccc2c(c1)-c1cccc(C)c1-c1ccccc1S2
InChIInChI=1S/C25H19NS/c1-16-7-5-10-19-21-15-18(25-17(2)8-6-14-26-25)12-13-23(21)27-22-11-4-3-9-20(22)24(16)19/h3-15H,1-2H3
InChIKeyQAQRTGMBGXARIV-UHFFFAOYSA-N
MW365.50 g/mol
LogP7.16
Rot. Bonds1

About 3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine

3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine (PubChem CID 162485936) has the molecular formula C25H19NS and a molecular weight of 365.50 g/mol. Its IUPAC name is 3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine.

Molecular Properties

Compound Name3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine
PubChem CID162485936
Molecular FormulaC25H19NS
Molecular Weight365.50 g/mol
Exact Mass365.12
IUPAC Name3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine
SMILESCc1cccnc1-c1ccc2c(c1)-c1cccc(C)c1-c1ccccc1S2
InChIInChI=1S/C25H19NS/c1-16-7-5-10-19-21-15-18(25-17(2)8-6-14-26-25)12-13-23(21)27-22-11-4-3-9-20(22)24(16)19/h3-15H,1-2H3
InChIKeyQAQRTGMBGXARIV-UHFFFAOYSA-N
XLogP7.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine with MolForge

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Related Compounds

3-methyl-2-(19-methyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl)pyridine
CID 162485968
3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
2-[4-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
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2-(3,4-difluorophenyl)-3-methylpyridine
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2-chloro-4-(3-methyl-2-pyridinyl)phenol
CID 137043829
3-(3-methyl-2-pyridinyl)-N-[3-(3-methyl-2-pyridinyl)phenyl]aniline
CID 90070817
3-[2-(3-methyl-2-pyridinyl)phenyl]benzaldehyde
CID 101484280
3-methyl-2-[3-[10-[4-(3-methyl-4-pyridinyl)phenyl]anthracen-9-yl]phenyl]pyridine
CID 122642577
2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163651654
2-(2,6-dichlorophenyl)-3-methylpyridine
CID 118841939
3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine
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2-(3-methyl-2-pyridinyl)benzenethiol
CID 137155222

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine?
The IUPAC name of 3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine (CID 162485936) is 3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine.
What is the SMILES notation for 3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine?
The canonical SMILES for 3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine is Cc1cccnc1-c1ccc2c(c1)-c1cccc(C)c1-c1ccccc1S2.
What is the InChIKey of 3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine?
The InChIKey is QAQRTGMBGXARIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NS/c1-16-7-5-10-19-21-15-18(25-17(2)8-6-14-26-25)12-13-23(21)27-22-11-4-3-9-20(22)24(16)19/h3-15H,1-2H3.
What are the key properties of 3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine?
3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine has a molecular weight of 365.50 g/mol, XLogP of 7.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine is sourced from PubChem (CID 162485936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).