3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine

C37H43NS — CID 170097551

IUPAC3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine
SMILESCc1ccc2c(C(C)C)cc(-c3nccc4c(C)c(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)sc34)cc2c1
InChIInChI=1S/C37H43NS/c1-20(2)26-17-32(22(5)6)34(33(18-26)23(7)8)36-25(10)29-13-14-38-35(37(29)39-36)28-16-27-15-24(9)11-12-30(27)31(19-28)21(3)4/h11-23H,1-10H3
InChIKeyFESGBLIBDNBNCW-UHFFFAOYSA-N
MW533.83 g/mol
LogP11.89
Rot. Bonds6

About 3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine

3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine (PubChem CID 170097551) has the molecular formula C37H43NS and a molecular weight of 533.83 g/mol. Its IUPAC name is 3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine.

Molecular Properties

Compound Name3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine
PubChem CID170097551
Molecular FormulaC37H43NS
Molecular Weight533.83 g/mol
Exact Mass533.31
IUPAC Name3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine
SMILESCc1ccc2c(C(C)C)cc(-c3nccc4c(C)c(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)sc34)cc2c1
InChIInChI=1S/C37H43NS/c1-20(2)26-17-32(22(5)6)34(33(18-26)23(7)8)36-25(10)29-13-14-38-35(37(29)39-36)28-16-27-15-24(9)11-12-30(27)31(19-28)21(3)4/h11-23H,1-10H3
InChIKeyFESGBLIBDNBNCW-UHFFFAOYSA-N
XLogP11.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.83
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine?
The IUPAC name of 3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine (CID 170097551) is 3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine.
What is the SMILES notation for 3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine?
The canonical SMILES for 3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine is Cc1ccc2c(C(C)C)cc(-c3nccc4c(C)c(-c5c(C(C)C)cc(C(C)C)cc5C(C)C)sc34)cc2c1.
What is the InChIKey of 3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine?
The InChIKey is FESGBLIBDNBNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43NS/c1-20(2)26-17-32(22(5)6)34(33(18-26)23(7)8)36-25(10)29-13-14-38-35(37(29)39-36)28-16-27-15-24(9)11-12-30(27)31(19-28)21(3)4/h11-23H,1-10H3.
What are the key properties of 3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine?
3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine has a molecular weight of 533.83 g/mol, XLogP of 11.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(7-methyl-4-propan-2-ylnaphthalen-2-yl)-2-[2,4,6-tri(propan-2-yl)phenyl]thieno[2,3-c]pyridine is sourced from PubChem (CID 170097551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).