(4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane

C33H37BrS — CID 139406486

IUPAC(4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane
SMILESCC(C)c1ccc(S(c2ccc(Br)cc2)(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C33H37BrS/c1-23(2)26-7-15-30(16-8-26)35(33-21-13-29(34)14-22-33,31-17-9-27(10-18-31)24(3)4)32-19-11-28(12-20-32)25(5)6/h7-25H,1-6H3
InChIKeyOXDZACDRRQWKKW-UHFFFAOYSA-N
MW545.63 g/mol
LogP11.16
Rot. Bonds7

About (4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane

(4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane (PubChem CID 139406486) has the molecular formula C33H37BrS and a molecular weight of 545.63 g/mol. Its IUPAC name is (4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane.

Molecular Properties

Compound Name(4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane
PubChem CID139406486
Molecular FormulaC33H37BrS
Molecular Weight545.63 g/mol
Exact Mass544.18
IUPAC Name(4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane
SMILESCC(C)c1ccc(S(c2ccc(Br)cc2)(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C33H37BrS/c1-23(2)26-7-15-30(16-8-26)35(33-21-13-29(34)14-22-33,31-17-9-27(10-18-31)24(3)4)32-19-11-28(12-20-32)25(5)6/h7-25H,1-6H3
InChIKeyOXDZACDRRQWKKW-UHFFFAOYSA-N
XLogP11.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.63
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481044
1-[(1S)-1-bromoethyl]-4-propan-2-ylbenzene
CID 94675608
N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
CID 18229988
4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 55198727
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63487797
1-(4-bromophenyl)-4-(4-propan-2-ylphenyl)piperazine;buta-1,3-diene
CID 142044878
1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
CID 12648459
1-(4-bromophenyl)ethanesulfinate
CID 135341216

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane?
The IUPAC name of (4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane (CID 139406486) is (4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane.
What is the SMILES notation for (4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane?
The canonical SMILES for (4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane is CC(C)c1ccc(S(c2ccc(Br)cc2)(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane?
The InChIKey is OXDZACDRRQWKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37BrS/c1-23(2)26-7-15-30(16-8-26)35(33-21-13-29(34)14-22-33,31-17-9-27(10-18-31)24(3)4)32-19-11-28(12-20-32)25(5)6/h7-25H,1-6H3.
What are the key properties of (4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane?
(4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane has a molecular weight of 545.63 g/mol, XLogP of 11.16, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-tris(4-propan-2-ylphenyl)-λ4-sulfane is sourced from PubChem (CID 139406486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).