2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine

C29H27NS — CID 166573694

IUPAC2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine
SMILES[2H]C(C)(C)c1cccc2c1sc1c(-c3cc(C(C)C)ccn3)ccc(-c3ccccc3)c12
InChIInChI=1S/C29H27NS/c1-18(2)21-15-16-30-26(17-21)24-14-13-23(20-9-6-5-7-10-20)27-25-12-8-11-22(19(3)4)28(25)31-29(24)27/h5-19H,1-4H3/i19D
InChIKeyCCJOOKUSLWOYEI-YUIGOLOMSA-N
MW422.62 g/mol
LogP9.03
Rot. Bonds4

About 2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine

2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine (PubChem CID 166573694) has the molecular formula C29H27NS and a molecular weight of 422.62 g/mol. Its IUPAC name is 2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine
PubChem CID166573694
Molecular FormulaC29H27NS
Molecular Weight422.62 g/mol
Exact Mass422.19
IUPAC Name2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine
SMILES[2H]C(C)(C)c1cccc2c1sc1c(-c3cc(C(C)C)ccn3)ccc(-c3ccccc3)c12
InChIInChI=1S/C29H27NS/c1-18(2)21-15-16-30-26(17-21)24-14-13-23(20-9-6-5-7-10-20)27-25-12-8-11-22(19(3)4)28(25)31-29(24)27/h5-19H,1-4H3/i19D
InChIKeyCCJOOKUSLWOYEI-YUIGOLOMSA-N
XLogP9.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.62
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine with MolForge

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Related Compounds

4-(2-deuteriopropan-2-yl)-2-[4-(2-deuteriopropan-2-yl)naphtho[1,2-b][1]benzothiol-10-yl]pyridine
CID 165170907
4-(3-methylbutan-2-yl)-2-(1-phenyldibenzothiophen-4-yl)pyridine
CID 166574230
2-(6,9-diphenyldibenzothiophen-4-yl)-4-methylpyridine
CID 166577291
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine
CID 166574431
4-[(E)-2-deuteriopent-3-en-2-yl]-2-[4-(2-deuteriopropan-2-yl)naphtho[1,2-b][1]benzothiol-10-yl]pyridine
CID 165170987
[6-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]dibenzothiophen-4-yl]-trimethylgermane
CID 165170806
2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine
CID 166576650
4-pentan-3-yl-2-(9-phenyldibenzothiophen-4-yl)pyridine
CID 166574444
4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[1,2-b][1]benzothiol-10-yl)pyridine
CID 165170798
4-(2-deuteriopropan-2-yl)-2-(1-methylnaphtho[2,1-b][1]benzothiol-6-yl)pyridine
CID 165170793
4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170640

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine?
The IUPAC name of 2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine (CID 166573694) is 2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine.
What is the SMILES notation for 2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine?
The canonical SMILES for 2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine is [2H]C(C)(C)c1cccc2c1sc1c(-c3cc(C(C)C)ccn3)ccc(-c3ccccc3)c12.
What is the InChIKey of 2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine?
The InChIKey is CCJOOKUSLWOYEI-YUIGOLOMSA-N. The full InChI is InChI=1S/C29H27NS/c1-18(2)21-15-16-30-26(17-21)24-14-13-23(20-9-6-5-7-10-20)27-25-12-8-11-22(19(3)4)28(25)31-29(24)27/h5-19H,1-4H3/i19D.
What are the key properties of 2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine?
2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine has a molecular weight of 422.62 g/mol, XLogP of 9.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-deuteriopropan-2-yl)-1-phenyldibenzothiophen-4-yl]-4-propan-2-ylpyridine is sourced from PubChem (CID 166573694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).